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l | rwxrwxrwx | 33 | cif-to-utf8_001.inp → ../inputs/2204100-authors-cif.txt |
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l | rwxrwxrwx | 33 | cif-to-utf8_002.inp → ../inputs/cif-degree-aring.ciftxt |
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l | rwxrwxrwx | 25 | cif-to-utf8_003.inp → ../inputs/Ruzicka-cif.txt |
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l | rwxrwxrwx | 32 | cif-to-utf8_004.inp → ../inputs/html-entities-test.txt |
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- | rw-r--r-- | 17 | cif-to-utf8_005.inp |
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l | rwxrwxrwx | 21 | cif2cod_001.inp → ../inputs/1000000.cif |
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- | rw-r--r-- | 21 | cif2cod_001.opt |
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l | rwxrwxrwx | 21 | cif2cod_002.inp → ../inputs/1000000.cif |
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- | rw-r--r-- | 42 | cif2cod_002.opt |
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l | rwxrwxrwx | 21 | cif2cod_003.inp → ../inputs/1000451.cif |
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- | rw-r--r-- | 3 | cif2cod_003.opt |
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l | rwxrwxrwx | 28 | cif2cod_004.inp → ../inputs/2001811-with-T.cif |
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l | rwxrwxrwx | 34 | cif2cod_005.inp → ../inputs/2103514-with-P-and-T.cif |
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l | rwxrwxrwx | 36 | cif2cod_006.inp → ../inputs/1010800-no-spcgrp-info.cif |
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- | rw-r--r-- | 3 | cif2cod_006.opt |
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l | rwxrwxrwx | 40 | cif2cod_007.inp → ../inputs/6000001-without-cordinates.cif |
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- | rw-r--r-- | 42 | cif2cod_007.opt |
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l | rwxrwxrwx | 28 | cif2cod_008.inp → ../inputs/1004008-90-dot.cif |
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- | rw-r--r-- | 6 | cif2cod_008.opt |
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l | rwxrwxrwx | 29 | cif2cod_009.inp → ../inputs/1001012-no-cell.cif |
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- | rw-r--r-- | 24 | cif2cod_009.opt |
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l | rwxrwxrwx | 40 | cif2cod_010.inp → ../inputs/7011014-occupancy-is-a-dot.cif |
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- | rw-r--r-- | 6 | cif2cod_010.opt |
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l | rwxrwxrwx | 21 | cif2cod_011.inp → ../inputs/2009480.cif |
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- | rw-r--r-- | 15 | cif2cod_011.opt |
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l | rwxrwxrwx | 21 | cif2cod_012.inp → ../inputs/2009397.cif |
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- | rw-r--r-- | 28 | cif2cod_012.opt |
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l | rwxrwxrwx | 21 | cif2cod_013.inp → ../inputs/2009397.cif |
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- | rw-r--r-- | 71 | cif2cod_013.opt |
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l | rwxrwxrwx | 21 | cif2cod_014.inp → ../inputs/2009397.cif |
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- | rw-r--r-- | 56 | cif2cod_014.opt |
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l | rwxrwxrwx | 21 | cif2cod_015.inp → ../inputs/2003005.cif |
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- | rw-r--r-- | 6 | cif2cod_015.opt |
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l | rwxrwxrwx | 21 | cif2cod_016.inp → ../inputs/1000000.cif |
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- | rw-r--r-- | 21 | cif2cod_016.opt |
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l | rwxrwxrwx | 21 | cif2cod_017.inp → ../inputs/1000000.cif |
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- | rw-r--r-- | 42 | cif2cod_017.opt |
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l | rwxrwxrwx | 36 | cif2cod_018.inp → ../inputs/1100163-correct-values.cif |
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- | rw-r--r-- | 3 | cif2cod_018.opt |
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l | rwxrwxrwx | 21 | cif2cod_019.inp → ../inputs/2000583.cif |
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- | rw-r--r-- | 6 | cif2cod_019.opt |
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l | rwxrwxrwx | 21 | cif2cod_020.inp → ../inputs/8102326.cif |
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- | rw-r--r-- | 3 | cif2cod_020.opt |
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l | rwxrwxrwx | 27 | cif2cod_021.inp → ../inputs/PMN0_36PT_DC4.cif |
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- | rw-r--r-- | 3 | cif2cod_021.opt |
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l | rwxrwxrwx | 21 | cif2cod_022.inp → ../inputs/2203315.cif |
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l | rwxrwxrwx | 21 | cif2cod_023.inp → ../inputs/1000023.cif |
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- | rw-r--r-- | 6 | cif2cod_023.opt |
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l | rwxrwxrwx | 21 | cif2cod_024.inp → ../inputs/1000023.cif |
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- | rw-r--r-- | 34 | cif2cod_024.opt |
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l | rwxrwxrwx | 22 | cif2cod_025.inp → ../inputs/B607768D.cif |
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- | rw-r--r-- | 3 | cif2cod_025.opt |
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l | rwxrwxrwx | 22 | cif2cod_026.inp → ../inputs/B607768D.cif |
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- | rw-r--r-- | 39 | cif2cod_026.opt |
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l | rwxrwxrwx | 29 | cif2cod_027.inp → ../inputs/cifdata_7009762.cif |
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- | rw-r--r-- | 15 | cif2cod_027.opt |
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l | rwxrwxrwx | 21 | cif2cod_028.inp → ../inputs/1000035.cif |
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- | rw-r--r-- | 6 | cif2cod_028.opt |
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l | rwxrwxrwx | 21 | cif2cod_029.inp → ../inputs/1000035.cif |
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- | rw-r--r-- | 32 | cif2cod_029.opt |
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- | rw-r--r-- | 89 | cif2cod_030.opt |
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l | rwxrwxrwx | 34 | cif2cod_031.inp → ../inputs/1000000-fake-on-hold.cif |
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- | rw-r--r-- | 47 | cif2cod_031.opt |
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- | rw-r--r-- | 3,332 | cif2cod_032.inp |
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- | rw-r--r-- | 36 | cif2cod_032.opt |
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l | rwxrwxrwx | 30 | cif2cod_033.inp → ../inputs/2238212-only-doi.cif |
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- | rw-r--r-- | 40 | cif2cod_033.opt |
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- | rw-r--r-- | 50 | cif2cod_034.opt |
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- | rw-r--r-- | 57 | cif2cod_035.opt |
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l | rwxrwxrwx | 36 | cif2cod_036.inp → ../inputs/2014429-greek-chemname.cif |
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- | rw-r--r-- | 132 | cif2cod_036.tst |
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l | rwxrwxrwx | 18 | cif2cod_037.inp → ../inputs/tags.lst |
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l | rwxrwxrwx | 21 | cif2cod_038.inp → ../inputs/1100117.cif |
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- | rw-r--r-- | 26 | cif2cod_038.opt |
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l | rwxrwxrwx | 35 | cif2cod_039.inp → ../inputs/determination_methods.cif |
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- | rw-r--r-- | 9 | cif2cod_039.opt |
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l | rwxrwxrwx | 24 | cif2cod_040.inp → ../inputs/cif-markup.cif |
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- | rw-r--r-- | 73 | cif2cod_040.tst |
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l | rwxrwxrwx | 21 | cif2cod_041.inp → ../inputs/4503694.cif |
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l | rwxrwxrwx | 30 | cif2cod_042.inp → ../inputs/2209560-cell-vol.cif |
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l | rwxrwxrwx | 21 | cif2cod_043.inp → ../inputs/3500042.cif |
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- | rw-r--r-- | 113 | cif2cod_043.opt |
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- | rw-r--r-- | 59 | cif2cod_043.tst |
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- | rw-r--r-- | 640 | cif2cod_044.inp |
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- | rw-r--r-- | 102 | cif2cod_044.opt |
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l | rwxrwxrwx | 21 | cif2cod_045.inp → ../inputs/1000000.cif |
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- | rw-r--r-- | 81 | cif2cod_045.opt |
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l | rwxrwxrwx | 29 | cif2cod_046.inp → ../inputs/empty_chem_name.cif |
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- | rw-r--r-- | 28 | cif2cod_046.opt |
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- | rw-r--r-- | 123 | cif2cod_046.tst |
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- | rw-r--r-- | 51 | cif2cod_047.opt |
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l | rwxrwxrwx | 26 | cif2cod_048.inp → ../inputs/CIF2-Unicode.cif |
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- | rw-r--r-- | 19 | cif2cod_048.opt |
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l | rwxrwxrwx | 29 | cif2cod_049.inp → ../inputs/multiline-names.cif |
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- | rw-r--r-- | 34 | cif2cod_049.opt |
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- | rw-r--r-- | 68 | cif2cod_049.tst |
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l | rwxrwxrwx | 27 | cif2cod_050.inp → ../inputs/non-numeric_Z.cif |
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- | rw-r--r-- | 3 | cif2cod_050.opt |
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- | rw-r--r-- | 80 | cif2cod_050.tst |
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l | rwxrwxrwx | 35 | cif2cod_051.inp → ../inputs/no_Z_valid_estimation.cif |
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- | rw-r--r-- | 22 | cif2cod_051.opt |
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- | rw-r--r-- | 122 | cif2cod_051.tst |
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l | rwxrwxrwx | 21 | cif2csv_001.inp → ../inputs/generic.cif |
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- | rw-r--r-- | 148 | cif2csv_001.tst |
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l | rwxrwxrwx | 32 | cif2csv_002.inp → ../inputs/cif_values_with_dq.cif |
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- | rw-r--r-- | 182 | cif2csv_002.tst |
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l | rwxrwxrwx | 20 | cif2json_001.inp → ../inputs/zq2107.cif |
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- | rw-r--r-- | 12 | cif2json_001.opt |
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l | rwxrwxrwx | 20 | cif2json_002.inp → ../inputs/zq2107.cif |
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- | rw-r--r-- | 21 | cif2json_002.opt |
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l | rwxrwxrwx | 21 | cif2rdf_001.inp → ../inputs/8100760.cif |
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l | rwxrwxrwx | 21 | cif2rdf_002.inp → ../inputs/8100760.cif |
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- | rw-r--r-- | 26 | cif2rdf_002.opt |
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l | rwxrwxrwx | 21 | cif2rdf_003.inp → ../inputs/1000000.cif |
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- | rw-r--r-- | 34 | cif2rdf_003.opt |
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l | rwxrwxrwx | 21 | cif2rdf_004.inp → ../inputs/2010123.cif |
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- | rw-r--r-- | 69 | cif2rdf_004.opt |
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- | rw-r--r-- | 50 | cif2rdf_005.opt |
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l | rwxrwxrwx | 21 | cif2rdf_006.inp → ../inputs/2010123.cif |
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- | rw-r--r-- | 75 | cif2rdf_006.opt |
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- | rw-r--r-- | 27 | cif2rdf_007.opt |
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- | rw-r--r-- | 27 | cif2rdf_008.opt |
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- | rw-r--r-- | 26 | cif2rdf_009.opt |
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- | rw-r--r-- | 26 | cif2rdf_010.opt |
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l | rwxrwxrwx | 19 | cif2ref_001.inp → ../inputs/Carbo.cif |
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- | rw-r--r-- | 18 | cif2ref_001.opt |
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l | rwxrwxrwx | 21 | cif2ref_002.inp → ../inputs/2208504.cif |
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l | rwxrwxrwx | 30 | cif2ref_003.inp → ../inputs/2201353-cell-vol.cif |
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l | rwxrwxrwx | 39 | cif2ref_004.inp → ../inputs/4063260-wrong-formula-sum.cif |
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l | rwxrwxrwx | 34 | cif2ref_005.inp → ../inputs/2103514-with-P-and-T.cif |
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l | rwxrwxrwx | 34 | cif2ref_006.inp → ../inputs/9010108-for-2-months.cif |
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l | rwxrwxrwx | 21 | cif2ref_007.inp → ../inputs/9000019.cif |
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l | rwxrwxrwx | 32 | cif2ref_008.inp → ../inputs/006_ethylnitramine.cif |
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l | rwxrwxrwx | 40 | cif2ref_009.inp → ../inputs/2000000-cif-special-values.cif |
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l | rwxrwxrwx | 37 | cif2ref_010.inp → ../inputs/2006115-dec-temperature.cif |
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l | rwxrwxrwx | 21 | cif2ref_011.inp → ../inputs/9012705.cif |
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l | rwxrwxrwx | 21 | cif2xyz_001.inp → ../inputs/1000023.cif |
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l | rwxrwxrwx | 21 | cif2xyz_002.inp → ../inputs/1000023.cif |
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- | rw-r--r-- | 14 | cif2xyz_002.opt |
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l | rwxrwxrwx | 21 | cif2xyz_003.inp → ../inputs/1000023.cif |
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- | rw-r--r-- | 17 | cif2xyz_003.opt |
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l | rwxrwxrwx | 21 | cif_Fcalc_001.inp → ../inputs/4504659.cif |
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- | rw-r--r-- | 23 | cif_Fcalc_001.opt |
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l | rwxrwxrwx | 21 | cif_Fcalc_002.inp → ../inputs/2234766.cif |
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- | rw-r--r-- | 19 | cif_Fcalc_002.opt |
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l | rwxrwxrwx | 21 | cif_Fcalc_003.inp → ../inputs/2234766.cif |
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- | rw-r--r-- | 23 | cif_Fcalc_003.opt |
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l | rwxrwxrwx | 21 | cif_Fcalc_004.inp → ../inputs/4504659.cif |
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- | rw-r--r-- | 21 | cif_Fcalc_004.opt |
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l | rwxrwxrwx | 21 | cif_Fcalc_005.inp → ../inputs/2234766.cif |
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- | rw-r--r-- | 28 | cif_Fcalc_005.opt |
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l | rwxrwxrwx | 21 | cif_Fcalc_006.inp → ../inputs/2234766.cif |
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- | rw-r--r-- | 36 | cif_Fcalc_006.opt |
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l | rwxrwxrwx | 21 | cif_Fcalc_007.inp → ../inputs/4334605.cif |
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- | rw-r--r-- | 36 | cif_Fcalc_007.opt |
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l | rwxrwxrwx | 21 | cif_Fcalc_008.inp → ../inputs/4334605.cif |
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- | rw-r--r-- | 16 | cif_Fcalc_008.opt |
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l | rwxrwxrwx | 21 | cif_Fcalc_009.inp → ../inputs/2234766.cif |
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- | rw-r--r-- | 37 | cif_Fcalc_009.opt |
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l | rwxrwxrwx | 21 | cif_Fcalc_010.inp → ../inputs/2234766.cif |
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- | rw-r--r-- | 27 | cif_Fcalc_010.opt |
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l | rwxrwxrwx | 32 | cif_adjust_journal_name_volume_001.inp → ../inputs/volume_with_letter.cif |
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- | rw-r--r-- | 51 | cif_adjust_journal_name_volume_001.tst |
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l | rwxrwxrwx | 35 | cif_bounding_box_001.inp → ../inputs/caffeine-obabel-gen3D.cif |
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l | rwxrwxrwx | 35 | cif_bounding_box_002.inp → ../inputs/caffeine-obabel-gen3D.cif |
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- | rw-r--r-- | 13 | cif_bounding_box_002.opt |
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l | rwxrwxrwx | 21 | cif_cell_contents_001.inp → ../inputs/1000000.cif |
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- | rw-r--r-- | 21 | cif_cell_contents_001.opt |
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l | rwxrwxrwx | 21 | cif_cell_contents_002.inp → ../inputs/1000035.cif |
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l | rwxrwxrwx | 21 | cif_cell_contents_003.inp → ../inputs/2217757.cif |
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l | rwxrwxrwx | 38 | cif_cell_contents_004.inp → ../inputs/2208311-zero-occupancies.cif |
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l | rwxrwxrwx | 21 | cif_cell_contents_005.inp → ../inputs/9000020.cif |
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l | rwxrwxrwx | 21 | cif_cell_contents_006.inp → ../inputs/1000035.cif |
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- | rw-r--r-- | 5 | cif_cell_contents_006.opt |
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l | rwxrwxrwx | 21 | cif_cell_contents_007.inp → ../inputs/1000035.cif |
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- | rw-r--r-- | 25 | cif_cell_contents_007.opt |
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l | rwxrwxrwx | 21 | cif_cell_contents_008.inp → ../inputs/9000020.cif |
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- | rw-r--r-- | 23 | cif_cell_contents_008.opt |
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l | rwxrwxrwx | 45 | cif_cell_contents_009.inp → ../inputs/1000002-occupancy-questionmarks.cif |
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l | rwxrwxrwx | 42 | cif_cell_contents_010.inp → ../inputs/2104634-new-symop-tags-no-SG.cif |
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- | rw-r--r-- | 5 | cif_cell_contents_010.opt |
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- | rw-r--r-- | 96 | cif_cell_contents_011.opt |
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l | rwxrwxrwx | 21 | cif_cell_contents_012.inp → ../inputs/2219444.cif |
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l | rwxrwxrwx | 38 | cif_cell_contents_013.inp → ../inputs/2300214-new-sg-name-Hall.cif |
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l | rwxrwxrwx | 37 | cif_cell_contents_014.inp → ../inputs/2300214-new-sg-name-H-M.cif |
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l | rwxrwxrwx | 26 | cif_cell_contents_015.inp → ../inputs/7105573-no-Z.cif |
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l | rwxrwxrwx | 32 | cif_cell_contents_016.inp → ../inputs/wrong-multiplicity.cif |
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l | rwxrwxrwx | 31 | cif_cell_contents_017.inp → ../inputs/4063196-short-H-M.cif |
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l | rwxrwxrwx | 36 | cif_cell_contents_018.inp → ../inputs/sn5100-superspacegroup.cif |
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l | rwxrwxrwx | 21 | cif_cell_contents_019.inp → ../inputs/9009872.cif |
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- | rw-r--r-- | 25 | cif_cell_contents_019.opt |
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l | rwxrwxrwx | 30 | cif_cell_contents_020.inp → ../inputs/1004001-disorder.cif |
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l | rwxrwxrwx | 35 | cif_cell_contents_021.inp → ../inputs/1004001-disorder_mols.cif |
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- | rw-r--r-- | 26 | cif_cell_contents_021.opt |
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l | rwxrwxrwx | 21 | cif_cell_contents_022.inp → ../inputs/2000135.cif |
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- | rw-r--r-- | 15 | cif_cell_contents_022.opt |
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l | rwxrwxrwx | 21 | cif_cell_contents_023.inp → ../inputs/2000135.cif |
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- | rw-r--r-- | 23 | cif_cell_contents_023.opt |
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- | rw-r--r-- | 97 | cif_cell_contents_024.opt |
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- | rw-r--r-- | 119 | cif_cell_contents_025.opt |
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l | rwxrwxrwx | 37 | cif_classify_001.inp → ../inputs/9007874-strange-H-names.cif |
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l | rwxrwxrwx | 46 | cif_classify_002.inp → ../inputs/9007874-strange-H-names-no-types.cif |
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l | rwxrwxrwx | 30 | cif_classify_003.inp → ../inputs/9010753-C-D-bond.cif |
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l | rwxrwxrwx | 21 | cif_classify_004.inp → ../inputs/2000056.cif |
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l | rwxrwxrwx | 21 | cif_classify_005.inp → ../inputs/2221562.cif |
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l | rwxrwxrwx | 21 | cif_classify_006.inp → ../inputs/2000507.cif |
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l | rwxrwxrwx | 21 | cif_classify_007.inp → ../inputs/2001460.cif |
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l | rwxrwxrwx | 21 | cif_classify_008.inp → ../inputs/2010787.cif |
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- | rw-r--r-- | 16,576 | cif_classify_009.inp |
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l | rwxrwxrwx | 21 | cif_cod_check_001.inp → ../inputs/2009397.cif |
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l | rwxrwxrwx | 21 | cif_cod_check_002.inp → ../inputs/2006132.cif |
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- | rw-r--r-- | 25 | cif_cod_check_002.opt |
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- | rw-r--r-- | 19,015 | cif_cod_check_003.inp |
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- | rw-r--r-- | 25 | cif_cod_check_003.opt |
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l | rwxrwxrwx | 43 | cif_cod_check_004.inp → ../inputs/jo026649z_s2_1-duplicate-tags.cif |
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- | rw-r--r-- | 34 | cif_cod_check_004.opt |
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l | rwxrwxrwx | 43 | cif_cod_check_005.inp → ../inputs/2009397-no-data-block-heading.cif |
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l | rwxrwxrwx | 34 | cif_cod_check_006.inp → ../inputs/2009397-syntax-error.cif |
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l | rwxrwxrwx | 35 | cif_cod_check_007.inp → ../inputs/2000000-no-spacegroup.cif |
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- | rw-r--r-- | 58 | cif_cod_check_007.opt |
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l | rwxrwxrwx | 31 | cif_cod_check_008.inp → ../inputs/2000000-no-symops.cif |
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- | rw-r--r-- | 33 | cif_cod_check_008.opt |
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l | rwxrwxrwx | 37 | cif_cod_check_009.inp → ../inputs/2000000-only-ITC-number.cif |
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- | rw-r--r-- | 58 | cif_cod_check_009.opt |
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l | rwxrwxrwx | 33 | cif_cod_check_010.inp → ../inputs/2000000-no-symmetry.cif |
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- | rw-r--r-- | 60 | cif_cod_check_010.opt |
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l | rwxrwxrwx | 40 | cif_cod_check_011.inp → ../inputs/jo030173h_01-double-quotes.cif |
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- | rw-r--r-- | 47 | cif_cod_check_011.opt |
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l | rwxrwxrwx | 30 | cif_cod_check_012.inp → ../inputs/Hopelesly-broken.cif |
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- | rw-r--r-- | 25 | cif_cod_check_012.opt |
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l | rwxrwxrwx | 30 | cif_cod_check_013.inp → ../inputs/Hopelesly-broken.cif |
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- | rw-r--r-- | 31 | cif_cod_check_013.opt |
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l | rwxrwxrwx | 30 | cif_cod_check_014.inp → ../inputs/Hopelesly-broken.cif |
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- | rw-r--r-- | 38 | cif_cod_check_014.opt |
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l | rwxrwxrwx | 30 | cif_cod_check_015.inp → ../inputs/Hopelesly-broken.cif |
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- | rw-r--r-- | 29 | cif_cod_check_015.opt |
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l | rwxrwxrwx | 30 | cif_cod_check_016.inp → ../inputs/Hopelesly-broken.cif |
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- | rw-r--r-- | 145 | cif_cod_check_016.opt |
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l | rwxrwxrwx | 30 | cif_cod_check_017.inp → ../inputs/Hopelesly-broken.cif |
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- | rw-r--r-- | 41 | cif_cod_check_017.opt |
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l | rwxrwxrwx | 30 | cif_cod_check_018.inp → ../inputs/Hopelesly-broken.cif |
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- | rw-r--r-- | 40 | cif_cod_check_018.opt |
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l | rwxrwxrwx | 21 | cif_cod_check_019.inp → ../inputs/1008954.cif |
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- | rw-r--r-- | 33 | cif_cod_check_019.opt |
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l | rwxrwxrwx | 30 | cif_cod_check_020.inp → ../inputs/Hopelesly-broken.cif |
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- | rw-r--r-- | 83 | cif_cod_check_020.opt |
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l | rwxrwxrwx | 21 | cif_cod_check_021.inp → ../inputs/2200639.cif |
|
l | rwxrwxrwx | 21 | cif_cod_check_022.inp → ../inputs/2204368.cif |
|
l | rwxrwxrwx | 21 | cif_cod_check_023.inp → ../inputs/2205750.cif |
|
l | rwxrwxrwx | 39 | cif_cod_check_024.inp → ../inputs/2205750-fixed-author-name.cif |
|
l | rwxrwxrwx | 21 | cif_cod_check_025.inp → ../inputs/2000334.cif |
|
- | rw-r--r-- | 58 | cif_cod_check_025.opt |
|
l | rwxrwxrwx | 37 | cif_cod_check_026.inp → ../inputs/2000380-example-of-R3-H.cif |
|
- | rw-r--r-- | 24 | cif_cod_check_026.opt |
|
l | rwxrwxrwx | 20 | cif_cod_check_027.inp → ../inputs/bs5068.cif |
|
- | rw-r--r-- | 42 | cif_cod_check_027.opt |
|
l | rwxrwxrwx | 20 | cif_cod_check_028.inp → ../inputs/bs5069.cif |
|
- | rw-r--r-- | 30 | cif_cod_check_028.opt |
|
l | rwxrwxrwx | 33 | cif_cod_check_029.inp → ../inputs/bs5068-estimated-sg.cif |
|
- | rw-r--r-- | 36 | cif_cod_check_029.opt |
|
l | rwxrwxrwx | 33 | cif_cod_check_030.inp → ../inputs/bs5069-estimated-sg.cif |
|
- | rw-r--r-- | 32 | cif_cod_check_030.opt |
|
l | rwxrwxrwx | 38 | cif_cod_check_031.inp → ../inputs/12917-reformated-authors.cif |
|
l | rwxrwxrwx | 50 | cif_cod_check_032.inp → ../inputs/7105250-oriental-name-capitalisation.cif |
|
l | rwxrwxrwx | 41 | cif_cod_check_033.inp → ../inputs/7105218-complex-author-name.cif |
|
l | rwxrwxrwx | 42 | cif_cod_check_034.inp → ../inputs/4301885-I12slash1-spacegroup.cif |
|
l | rwxrwxrwx | 38 | cif_cod_check_035.inp → ../inputs/9001907-broken-unit-cell.cif |
|
- | rw-r--r-- | 12 | cif_cod_check_035.opt |
|
l | rwxrwxrwx | 38 | cif_cod_check_036.inp → ../inputs/9001907-broken-unit-cell.cif |
|
- | rw-r--r-- | 17 | cif_cod_check_036.opt |
|
l | rwxrwxrwx | 38 | cif_cod_check_037.inp → ../inputs/9001907-broken-unit-cell.cif |
|
- | rw-r--r-- | 33 | cif_cod_check_037.opt |
|
l | rwxrwxrwx | 21 | cif_cod_check_038.inp → ../inputs/4300013.cif |
|
- | rw-r--r-- | 60 | cif_cod_check_038.opt |
|
l | rwxrwxrwx | 21 | cif_cod_check_039.inp → ../inputs/4300013.cif |
|
- | rw-r--r-- | 50 | cif_cod_check_039.opt |
|
l | rwxrwxrwx | 21 | cif_cod_check_040.inp → ../inputs/4300056.cif |
|
- | rw-r--r-- | 30 | cif_cod_check_040.opt |
|
l | rwxrwxrwx | 21 | cif_cod_check_041.inp → ../inputs/4101385.cif |
|
- | rw-r--r-- | 33 | cif_cod_check_041.opt |
|
l | rwxrwxrwx | 21 | cif_cod_check_042.inp → ../inputs/4300015.cif |
|
- | rw-r--r-- | 67 | cif_cod_check_042.opt |
|
l | rwxrwxrwx | 21 | cif_cod_check_043.inp → ../inputs/4300081.cif |
|
- | rw-r--r-- | 39 | cif_cod_check_043.opt |
|
l | rwxrwxrwx | 21 | cif_cod_check_044.inp → ../inputs/9008098.cif |
|
- | rw-r--r-- | 20 | cif_cod_check_044.opt |
|
l | rwxrwxrwx | 29 | cif_cod_check_045.inp → ../inputs/cifdata_7013301.cif |
|
- | rw-r--r-- | 12 | cif_cod_check_045.opt |
|
l | rwxrwxrwx | 36 | cif_cod_check_046.inp → ../inputs/1001627-spacegroup-A-1.cif |
|
- | rw-r--r-- | 12 | cif_cod_check_046.opt |
|
l | rwxrwxrwx | 35 | cif_cod_check_047.inp → ../inputs/2003076-spacegroup-C1.cif |
|
- | rw-r--r-- | 25 | cif_cod_check_047.opt |
|
l | rwxrwxrwx | 42 | cif_cod_check_048.inp → ../inputs/ic0485312si20041025_103940_5.cif |
|
- | rw-r--r-- | 25 | cif_cod_check_048.opt |
|
l | rwxrwxrwx | 45 | cif_cod_check_049.inp → ../inputs/ic0485312si20041025_103940_5-ED.cif |
|
- | rw-r--r-- | 25 | cif_cod_check_049.opt |
|
l | rwxrwxrwx | 30 | cif_cod_check_050.inp → ../inputs/Hopelesly-broken.cif |
|
- | rw-r--r-- | 21 | cif_cod_check_050.opt |
|
l | rwxrwxrwx | 30 | cif_cod_check_051.inp → ../inputs/Hopelesly-broken.cif |
|
- | rw-r--r-- | 32 | cif_cod_check_051.opt |
|
l | rwxrwxrwx | 20 | cif_cod_check_052.inp → ../inputs/bs5068.cif |
|
- | rw-r--r-- | 22 | cif_cod_check_052.opt |
|
l | rwxrwxrwx | 42 | cif_cod_check_053.inp → ../inputs/ic048548ksi20041016_122440_1.cif |
|
l | rwxrwxrwx | 30 | cif_cod_check_054.inp → ../inputs/cell_constraints.cif |
|
- | rw-r--r-- | 31 | cif_cod_check_054.opt |
|
l | rwxrwxrwx | 35 | cif_cod_check_055.inp → ../inputs/7200679-spacegroup-P4.cif |
|
l | rwxrwxrwx | 36 | cif_cod_check_056.inp → ../inputs/sn5100-superspacegroup.cif |
|
l | rwxrwxrwx | 30 | cif_cod_check_057.inp → ../inputs/1100192-r-factor.cif |
|
- | rw-r--r-- | 20 | cif_cod_check_057.opt |
|
l | rwxrwxrwx | 31 | cif_cod_check_058.inp → ../inputs/1100974-wr-factor.cif |
|
- | rw-r--r-- | 20 | cif_cod_check_058.opt |
|
l | rwxrwxrwx | 38 | cif_cod_check_059.inp → ../inputs/1100688-wr-factor-notice.cif |
|
- | rw-r--r-- | 20 | cif_cod_check_059.opt |
|
l | rwxrwxrwx | 39 | cif_cod_check_060.inp → ../inputs/2015798-wr-factor-warning.cif |
|
- | rw-r--r-- | 20 | cif_cod_check_060.opt |
|
l | rwxrwxrwx | 30 | cif_cod_check_061.inp → ../inputs/1101073-r-factor.cif |
|
- | rw-r--r-- | 20 | cif_cod_check_061.opt |
|
l | rwxrwxrwx | 30 | cif_cod_check_062.inp → ../inputs/1101073-r-factor.cif |
|
- | rw-r--r-- | 20 | cif_cod_check_062.opt |
|
l | rwxrwxrwx | 36 | cif_cod_check_063.inp → ../inputs/sn5100-superspacegroup.cif |
|
l | rwxrwxrwx | 37 | cif_cod_check_064.inp → ../inputs/2001811-googness-of-fit.cif |
|
- | rw-r--r-- | 15 | cif_cod_check_064.opt |
|
- | rw-r--r-- | 7,923 | cif_cod_check_065.inp |
|
- | rw-r--r-- | 60 | cif_cod_check_065.opt |
|
l | rwxrwxrwx | 30 | cif_cod_check_066.inp → ../inputs/1100192-r-factor.cif |
|
- | rw-r--r-- | 71 | cif_cod_check_066.opt |
|
- | rw-r--r-- | 7,923 | cif_cod_check_067.inp |
|
- | rw-r--r-- | 71 | cif_cod_check_067.opt |
|
l | rwxrwxrwx | 39 | cif_cod_check_068.inp → ../inputs/2015798-wr-factor-warning.cif |
|
- | rw-r--r-- | 73 | cif_cod_check_068.opt |
|
l | rwxrwxrwx | 39 | cif_cod_check_069.inp → ../inputs/2015798-wr-factor-warning.cif |
|
- | rw-r--r-- | 66 | cif_cod_check_069.opt |
|
l | rwxrwxrwx | 37 | cif_cod_check_070.inp → ../inputs/2001811-googness-of-fit.cif |
|
- | rw-r--r-- | 120 | cif_cod_check_070.opt |
|
l | rwxrwxrwx | 34 | cif_cod_check_071.inp → ../inputs/2000488-reset-limits.cif |
|
- | rw-r--r-- | 126 | cif_cod_check_071.opt |
|
l | rwxrwxrwx | 34 | cif_cod_check_072.inp → ../inputs/2000373-merge-limits.cif |
|
- | rw-r--r-- | 106 | cif_cod_check_072.opt |
|
l | rwxrwxrwx | 43 | cif_cod_check_073.inp → ../inputs/2000373-modified-merge-limits.cif |
|
- | rw-r--r-- | 118 | cif_cod_check_073.opt |
|
l | rwxrwxrwx | 43 | cif_cod_check_074.inp → ../inputs/2000373-modified-merge-limits.cif |
|
- | rw-r--r-- | 103 | cif_cod_check_074.opt |
|
l | rwxrwxrwx | 40 | cif_cod_check_075.inp → ../inputs/2001253-not-numeric-limits.cif |
|
- | rw-r--r-- | 20 | cif_cod_check_075.opt |
|
l | rwxrwxrwx | 44 | cif_cod_check_076.inp → ../inputs/2003896-undefined-goodness-fit.cif |
|
- | rw-r--r-- | 20 | cif_cod_check_076.opt |
|
l | rwxrwxrwx | 42 | cif_cod_check_077.inp → ../inputs/2101923-value-with-precision.cif |
|
- | rw-r--r-- | 20 | cif_cod_check_077.opt |
|
l | rwxrwxrwx | 39 | cif_cod_check_078.inp → ../inputs/2003526-r-factor-with-esd.cif |
|
- | rw-r--r-- | 20 | cif_cod_check_078.opt |
|
- | rw-r--r-- | 255 | cif_cod_check_078.tst |
|
l | rwxrwxrwx | 36 | cif_cod_check_079.inp → ../inputs/4320780-negative-value.cif |
|
l | rwxrwxrwx | 27 | cif_cod_check_080.inp → ../inputs/PMN0_36PT_DC4.cif |
|
l | rwxrwxrwx | 19 | cif_cod_check_081.inp → ../inputs/empty.cif |
|
- | rw-r--r-- | 38 | cif_cod_check_081.tst |
|
l | rwxrwxrwx | 19 | cif_cod_check_082.inp → ../inputs/no-xU.cif |
|
l | rwxrwxrwx | 18 | cif_cod_check_083.inp → ../inputs/no-x.cif |
|
l | rwxrwxrwx | 24 | cif_cod_check_084.inp → ../inputs/no-Cartn_x.cif |
|
l | rwxrwxrwx | 18 | cif_cod_check_085.inp → ../inputs/no-z.cif |
|
l | rwxrwxrwx | 19 | cif_cod_check_086.inp → ../inputs/no-yz.cif |
|
l | rwxrwxrwx | 39 | cif_cod_check_087.inp → ../inputs/cm903170t_si_001-filtered.cif |
|
l | rwxrwxrwx | 50 | cif_cod_check_088.inp → ../inputs/cm903170t_si_001-filtered-and-broken.cif |
|
l | rwxrwxrwx | 31 | cif_cod_check_089.inp → ../inputs/pdCIF_struct_test.cif |
|
l | rwxrwxrwx | 45 | cif_cod_check_090.inp → ../inputs/pdCIF_struct-complete-bipartite.cif |
|
l | rwxrwxrwx | 49 | cif_cod_check_091.inp → ../inputs/pdCIF_struct-missing-symmetric-link.cif |
|
l | rwxrwxrwx | 44 | cif_cod_check_092.inp → ../inputs/pdCIF_struct-missing-datablock.cif |
|
l | rwxrwxrwx | 46 | cif_cod_check_093.inp → ../inputs/pdCIF_struct-sparse-connectivity.cif |
|
l | rwxrwxrwx | 41 | cif_cod_check_094.inp → ../inputs/pdCIF_struct-not-enumerated.cif |
|
l | rwxrwxrwx | 30 | cif_cod_check_095.inp → ../inputs/cm903170t_si_001.cif |
|
l | rwxrwxrwx | 36 | cif_cod_check_096.inp → ../inputs/2003_Toby_1290_example.cif |
|
- | rw-r--r-- | 750 | cif_cod_check_097.inp |
|
- | rw-r--r-- | 1,037 | cif_cod_check_098.inp |
|
l | rwxrwxrwx | 39 | cif_cod_check_099.inp → ../inputs/om4005498_si_003-filtered.cif |
|
l | rwxrwxrwx | 22 | cif_cod_check_100.inp → ../inputs/B607768D.cif |
|
- | rw-r--r-- | 19 | cif_cod_check_100.opt |
|
l | rwxrwxrwx | 21 | cif_cod_check_101.inp → ../inputs/2238212.cif |
|
- | rw-r--r-- | 19 | cif_cod_check_101.opt |
|
l | rwxrwxrwx | 30 | cif_cod_check_102.inp → ../inputs/loop_unquoted_01.inp |
|
- | rw-r--r-- | 19 | cif_cod_check_102.opt |
|
l | rwxrwxrwx | 21 | cif_cod_check_103.inp → ../inputs/2001925.cif |
|
l | rwxrwxrwx | 21 | cif_cod_check_104.inp → ../inputs/2005206.cif |
|
l | rwxrwxrwx | 31 | cif_cod_check_105.inp → ../inputs/missing_tcod_tags.cif |
|
- | rw-r--r-- | 26 | cif_cod_check_105.opt |
|
l | rwxrwxrwx | 28 | cif_cod_check_106.inp → ../inputs/aiida_exported.cif |
|
l | rwxrwxrwx | 31 | cif_cod_check_107.inp → ../inputs/pdCIF_struct_test.cif |
|
- | rw-r--r-- | 15 | cif_cod_check_107.opt |
|
- | rw-r--r-- | 95 | cif_cod_check_107.tst |
|
l | rwxrwxrwx | 29 | cif_cod_check_108.inp → ../inputs/malformed_symop.cif |
|
- | rw-r--r-- | 68 | cif_cod_check_108.tst |
|
l | rwxrwxrwx | 43 | cif_cod_check_109.inp → ../inputs/10.1021-acs.organomet.5b00864.cif |
|
- | rw-r--r-- | 112 | cif_cod_check_109.tst |
|
l | rwxrwxrwx | 33 | cif_cod_check_110.inp → ../inputs/bs5068-estimated-sg.cif |
|
- | rw-r--r-- | 22 | cif_cod_check_110.opt |
|
l | rwxrwxrwx | 42 | cif_cod_check_111.inp → ../inputs/cif_cod_check-numeric-values.cif |
|
- | rw-r--r-- | 20 | cif_cod_check_111.opt |
|
- | rw-r--r-- | 78 | cif_cod_check_111.tst |
|
l | rwxrwxrwx | 41 | cif_cod_check_112.inp → ../inputs/malformed_symop_new_sym_tag.cif |
|
- | rw-r--r-- | 32 | cif_cod_check_112.opt |
|
- | rw-r--r-- | 125 | cif_cod_check_112.tst |
|
l | rwxrwxrwx | 27 | cif_cod_check_113.inp → ../inputs/new_symop_tag.cif |
|
- | rw-r--r-- | 168 | cif_cod_check_113.tst |
|
l | rwxrwxrwx | 45 | cif_cod_check_114.inp → ../inputs/4000342-long-sample-description.cif |
|
l | rwxrwxrwx | 32 | cif_cod_check_115.inp → ../inputs/vn2124sup1-trimmed.cif |
|
- | rwxr-xr-x | 88 | cif_cod_numbers_001.chk |
|
- | rw-r--r-- | 25 | cif_cod_numbers_001.opt |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_002.chk → cif_cod_numbers_001.chk |
|
- | rw-r--r-- | 36 | cif_cod_numbers_002.opt |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_003.chk → cif_cod_numbers_001.chk |
|
- | rw-r--r-- | 30 | cif_cod_numbers_003.opt |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_004.chk → cif_cod_numbers_001.chk |
|
- | rw-r--r-- | 31 | cif_cod_numbers_004.opt |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_005.chk → cif_cod_numbers_001.chk |
|
- | rw-r--r-- | 32 | cif_cod_numbers_005.opt |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_006.chk → cif_cod_numbers_001.chk |
|
- | rw-r--r-- | 44 | cif_cod_numbers_006.opt |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_007.chk → cif_cod_numbers_001.chk |
|
- | rw-r--r-- | 141 | cif_cod_numbers_007.opt |
|
- | rw-r--r-- | 208 | cif_cod_numbers_008.opt |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_009.chk → cif_cod_numbers_001.chk |
|
l | rwxrwxrwx | 29 | cif_cod_numbers_009.inp → ../inputs/cifdata_7009762.cif |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_010.chk → cif_cod_numbers_001.chk |
|
l | rwxrwxrwx | 31 | cif_cod_numbers_010.inp → ../inputs/1000125-cell-diff.cif |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_011.chk → cif_cod_numbers_001.chk |
|
l | rwxrwxrwx | 31 | cif_cod_numbers_011.inp → ../inputs/1000125-cell-diff.cif |
|
- | rw-r--r-- | 15 | cif_cod_numbers_011.opt |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_012.chk → cif_cod_numbers_001.chk |
|
l | rwxrwxrwx | 37 | cif_cod_numbers_012.inp → ../inputs/b605326b-no-formula-sum.cif |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_013.chk → cif_cod_numbers_001.chk |
|
l | rwxrwxrwx | 41 | cif_cod_numbers_013.inp → ../inputs/4000911-high-precision-cell.cif |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_014.chk → cif_cod_numbers_001.chk |
|
l | rwxrwxrwx | 48 | cif_cod_numbers_014.inp → ../inputs/7052819-thermal-hist-with-newlines.cif |
|
- | rw-r--r-- | 20 | cif_cod_numbers_014.opt |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_015.chk → cif_cod_numbers_001.chk |
|
- | rw-r--r-- | 319 | cif_cod_numbers_015.opt |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_016.chk → cif_cod_numbers_001.chk |
|
l | rwxrwxrwx | 29 | cif_cod_numbers_016.inp → ../inputs/cifdata_7009762.cif |
|
- | rw-r--r-- | 23 | cif_cod_numbers_016.opt |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_017.chk → cif_cod_numbers_001.chk |
|
- | rw-r--r-- | 62 | cif_cod_numbers_017.opt |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_018.chk → cif_cod_numbers_001.chk |
|
l | rwxrwxrwx | 21 | cif_cod_numbers_018.inp → ../inputs/1516136.cif |
|
l | rwxrwxrwx | 23 | cif_cod_numbers_019.chk → cif_cod_numbers_001.chk |
|
l | rwxrwxrwx | 19 | cif_cod_numbers_019.inp → ../inputs/empty.cif |
|
- | rw-r--r-- | 55 | cif_cod_numbers_019.tst |
|
- | rw-r--r-- | 210 | cif_cod_numbers_020.opt |
|
- | rw-r--r-- | 78 | cif_cod_numbers_020.tst |
|
- | rw-r--r-- | 160 | cif_cod_numbers_021.opt |
|
- | rw-r--r-- | 67 | cif_cod_numbers_021.tst |
|
l | rwxrwxrwx | 29 | cif_correct_tags_001.inp → ../inputs/4302587-symetry.cif |
|
- | rw-r--r-- | 53 | cif_correct_tags_001.opt |
|
l | rwxrwxrwx | 39 | cif_correct_tags_002.inp → ../inputs/4303187-double-underscore.cif |
|
l | rwxrwxrwx | 42 | cif_correct_tags_003.inp → ../inputs/4303187-multiple-underscores.cif |
|
l | rwxrwxrwx | 31 | cif_correct_tags_004.inp → ../inputs/specimen-suppport.cif |
|
- | rw-r--r-- | 53 | cif_correct_tags_004.opt |
|
l | rwxrwxrwx | 41 | cif_correct_tags_005.inp → ../inputs/b415935g-multiple-tag-fixes.cif |
|
- | rw-r--r-- | 57 | cif_correct_tags_005.opt |
|
l | rwxrwxrwx | 37 | cif_correct_tags_006.inp → ../inputs/4310545-temperature-tag.cif |
|
- | rw-r--r-- | 48 | cif_correct_tags_006.opt |
|
l | rwxrwxrwx | 39 | cif_correct_tags_007.inp → ../inputs/misspelt_tags_same_values.cif |
|
- | rw-r--r-- | 48 | cif_correct_tags_007.opt |
|
- | rw-r--r-- | 128 | cif_correct_tags_007.tst |
|
l | rwxrwxrwx | 44 | cif_correct_tags_008.inp → ../inputs/misspelt_tags_different_values.cif |
|
- | rw-r--r-- | 48 | cif_correct_tags_008.opt |
|
- | rw-r--r-- | 133 | cif_correct_tags_008.tst |
|
l | rwxrwxrwx | 32 | cif_correct_tags_009.inp → ../inputs/looped_correct_tag.cif |
|
- | rw-r--r-- | 48 | cif_correct_tags_009.opt |
|
- | rw-r--r-- | 136 | cif_correct_tags_009.tst |
|
l | rwxrwxrwx | 33 | cif_correct_tags_010.inp → ../inputs/looped_misspelt_tag.cif |
|
- | rw-r--r-- | 48 | cif_correct_tags_010.opt |
|
- | rw-r--r-- | 128 | cif_correct_tags_010.tst |
|
l | rwxrwxrwx | 34 | cif_create_AMCSD_pressure_temp_tags_001.inp → ../inputs/9010340-with-P-value.cif |
|
l | rwxrwxrwx | 37 | cif_create_AMCSD_pressure_temp_tags_002.inp → ../inputs/9012939-with-T-in-deg-C.cif |
|
l | rwxrwxrwx | 42 | cif_create_AMCSD_pressure_temp_tags_003.inp → ../inputs/9003481-with-P-and-T-remarks.cif |
|
l | rwxrwxrwx | 35 | cif_create_AMCSD_pressure_temp_tags_004.inp → ../inputs/9003333-nonquenchable.cif |
|
l | rwxrwxrwx | 31 | cif_create_AMCSD_pressure_temp_tags_005.inp → ../inputs/9007346-Annealing.cif |
|
l | rwxrwxrwx | 33 | cif_create_AMCSD_pressure_temp_tags_006.inp → ../inputs/9010219-synthesized.cif |
|
l | rwxrwxrwx | 31 | cif_create_AMCSD_pressure_temp_tags_007.inp → ../inputs/9000579-annealing.cif |
|
l | rwxrwxrwx | 35 | cif_create_AMCSD_pressure_temp_tags_008.inp → ../inputs/9001201-then-quenched.cif |
|
l | rwxrwxrwx | 35 | cif_create_AMCSD_pressure_temp_tags_009.inp → ../inputs/9001205-then-quenched.cif |
|
l | rwxrwxrwx | 30 | cif_create_AMCSD_pressure_temp_tags_010.inp → ../inputs/9000133-annealed.cif |
|
l | rwxrwxrwx | 30 | cif_create_AMCSD_pressure_temp_tags_011.inp → ../inputs/9003733-Annealed.cif |
|
l | rwxrwxrwx | 30 | cif_create_AMCSD_pressure_temp_tags_012.inp → ../inputs/9005205-Quenched.cif |
|
l | rwxrwxrwx | 41 | cif_create_AMCSD_pressure_temp_tags_013.inp → ../inputs/9001577-synth-at-temp-press.cif |
|
l | rwxrwxrwx | 39 | cif_create_AMCSD_pressure_temp_tags_014.inp → ../inputs/9005343-pressure-in-kbars.cif |
|
l | rwxrwxrwx | 39 | cif_create_AMCSD_pressure_temp_tags_015.inp → ../inputs/1100068-heated-and-cooled.cif |
|
l | rwxrwxrwx | 43 | cif_create_AMCSD_pressure_temp_tags_016.inp → ../inputs/9001436-annealed-and-quenched.cif |
|
l | rwxrwxrwx | 36 | cif_create_AMCSD_pressure_temp_tags_017.inp → ../inputs/4000464-synthesised-at.cif |
|
l | rwxrwxrwx | 31 | cif_create_AMCSD_pressure_temp_tags_018.inp → ../inputs/7102793-cool-rate.cif |
|
l | rwxrwxrwx | 42 | cif_create_AMCSD_pressure_temp_tags_019.inp → ../inputs/7102793-with-thermal-history.cif |
|
l | rwxrwxrwx | 44 | cif_create_AMCSD_pressure_temp_tags_020.inp → ../inputs/9006312-annealed-then-quenched.cif |
|
l | rwxrwxrwx | 34 | cif_create_AMCSD_pressure_temp_tags_021.inp → ../inputs/9002763-heat-induced.cif |
|
l | rwxrwxrwx | 43 | cif_create_AMCSD_pressure_temp_tags_022.inp → ../inputs/9007100-multiple-heated-words.cif |
|
l | rwxrwxrwx | 45 | cif_create_AMCSD_pressure_temp_tags_023.inp → ../inputs/9006312-multiple-annealed-words.cif |
|
l | rwxrwxrwx | 48 | cif_create_AMCSD_pressure_temp_tags_024.inp → ../inputs/9006309-multiple-annealed-at-words.cif |
|
l | rwxrwxrwx | 41 | cif_create_AMCSD_pressure_temp_tags_025.inp → ../inputs/9002741-isotermally-ordered.cif |
|
l | rwxrwxrwx | 35 | cif_create_AMCSD_pressure_temp_tags_026.inp → ../inputs/9006036-annealed-held.cif |
|
l | rwxrwxrwx | 30 | cif_create_AMCSD_pressure_temp_tags_027.inp → ../inputs/9006569-unheated.cif |
|
l | rwxrwxrwx | 35 | cif_create_AMCSD_pressure_temp_tags_028.inp → ../inputs/9010105-for-one-month.cif |
|
l | rwxrwxrwx | 34 | cif_create_AMCSD_pressure_temp_tags_029.inp → ../inputs/9010108-for-2-months.cif |
|
l | rwxrwxrwx | 35 | cif_create_AMCSD_pressure_temp_tags_030.inp → ../inputs/6000106-with-cod-text.cif |
|
l | rwxrwxrwx | 40 | cif_create_AMCSD_pressure_temp_tags_031.inp → ../inputs/9001432-initially-annealed.cif |
|
l | rwxrwxrwx | 45 | cif_create_AMCSD_pressure_temp_tags_032.inp → ../inputs/4000342-long-sample-description.cif |
|
l | rwxrwxrwx | 35 | cif_create_AMCSD_pressure_temp_tags_033.inp → ../inputs/9000839-after-heating.cif |
|
l | rwxrwxrwx | 41 | cif_create_AMCSD_pressure_temp_tags_034.inp → ../inputs/9002735-isotermally-ordered.cif |
|
l | rwxrwxrwx | 34 | cif_create_AMCSD_pressure_temp_tags_035.inp → ../inputs/9004523-heat-treated.cif |
|
l | rwxrwxrwx | 46 | cif_create_AMCSD_pressure_temp_tags_036.inp → ../inputs/9003872-after-annealing-annealed.cif |
|
l | rwxrwxrwx | 37 | cif_create_AMCSD_pressure_temp_tags_037.inp → ../inputs/9010115-negative-temp-C.cif |
|
l | rwxrwxrwx | 44 | cif_create_AMCSD_pressure_temp_tags_038.inp → ../inputs/9010115-incorrect-ambient-temp.cif |
|
l | rwxrwxrwx | 34 | cif_create_AMCSD_pressure_temp_tags_039.inp → ../inputs/2003245-cooling-rate.cif |
|
l | rwxrwxrwx | 27 | cif_create_AMCSD_pressure_temp_tags_040.inp → ../inputs/9006276-deg-C.cif |
|
l | rwxrwxrwx | 28 | cif_create_AMCSD_pressure_temp_tags_041.inp → ../inputs/9001446-method.cif |
|
l | rwxrwxrwx | 35 | cif_create_AMCSD_pressure_temp_tags_042.inp → ../inputs/1008355-prepared-at-T.cif |
|
l | rwxrwxrwx | 38 | cif_create_AMCSD_pressure_temp_tags_043.inp → ../inputs/2003335-prepared-cooling.cif |
|
l | rwxrwxrwx | 30 | cif_create_AMCSD_pressure_temp_tags_044.inp → ../inputs/9012273-annealed.cif |
|
l | rwxrwxrwx | 46 | cif_create_AMCSD_pressure_temp_tags_045.inp → ../inputs/2003248-synthesised-then-heating.cif |
|
l | rwxrwxrwx | 30 | cif_create_AMCSD_pressure_temp_tags_046.inp → ../inputs/9013273-Pressure.cif |
|
l | rwxrwxrwx | 35 | cif_create_AMCSD_pressure_temp_tags_047.inp → ../inputs/9013191-pressure-hist.cif |
|
l | rwxrwxrwx | 35 | cif_create_AMCSD_pressure_temp_tags_048.inp → ../inputs/9013186-pressure-hist.cif |
|
l | rwxrwxrwx | 35 | cif_create_AMCSD_pressure_temp_tags_049.inp → ../inputs/9013187-pressure-hist.cif |
|
l | rwxrwxrwx | 21 | cif_dictionary_tags_001.inp → ../inputs/cif_cod.dic |
|
- | rw-r--r-- | 60 | cif_dictionary_tags_001.tst |
|
l | rwxrwxrwx | 28 | cif_dictionary_tags_002.inp → ../inputs/mmcif_pdbx_v40.dic |
|
- | rw-r--r-- | 81 | cif_dictionary_tags_002.tst |
|
l | rwxrwxrwx | 26 | cif_dictionary_tags_003.inp → ../inputs/DDLm_3.11.09.dic |
|
- | rw-r--r-- | 62 | cif_diff_001.opt |
|
- | rw-r--r-- | 93 | cif_diff_002.opt |
|
- | rw-r--r-- | 146 | cif_diff_003.opt |
|
- | rw-r--r-- | 100 | cif_diff_004.opt |
|
- | rw-r--r-- | 158 | cif_diff_005.opt |
|
- | rw-r--r-- | 212 | cif_diff_006.opt |
|
- | rw-r--r-- | 72 | cif_diff_007.opt |
|
- | rw-r--r-- | 73 | cif_diff_008.opt |
|
- | rw-r--r-- | 74 | cif_diff_009.opt |
|
- | rw-r--r-- | 110 | cif_diff_010.opt |
|
- | rw-r--r-- | 55 | cif_diff_010.tst |
|
- | rw-r--r-- | 62 | cif_diff_011.opt |
|
- | rw-r--r-- | 88 | cif_diff_012.opt |
|
l | rwxrwxrwx | 34 | cif_distances_001.inp → ../inputs/cif_distances-simple.cif |
|
- | rw-r--r-- | 90 | cif_distances_001.tst |
|
l | rwxrwxrwx | 34 | cif_distances_002.inp → ../inputs/cif_distances-simple.cif |
|
- | rw-r--r-- | 3 | cif_distances_002.opt |
|
- | rw-r--r-- | 37 | cif_distances_002.tst |
|
l | rwxrwxrwx | 34 | cif_distances_003.inp → ../inputs/cif_distances-simple.cif |
|
- | rw-r--r-- | 18 | cif_distances_003.opt |
|
- | rw-r--r-- | 37 | cif_distances_003.tst |
|
l | rwxrwxrwx | 34 | cif_distances_004.inp → ../inputs/cif_distances-simple.cif |
|
- | rw-r--r-- | 6 | cif_distances_004.opt |
|
- | rw-r--r-- | 39 | cif_distances_004.tst |
|
l | rwxrwxrwx | 34 | cif_distances_005.inp → ../inputs/cif_distances-simple.cif |
|
- | rw-r--r-- | 38 | cif_distances_005.opt |
|
- | rw-r--r-- | 39 | cif_distances_005.tst |
|
l | rwxrwxrwx | 29 | cif_distances_006.inp → ../inputs/2000000-trimmed.cif |
|
- | rw-r--r-- | 31 | cif_distances_006.opt |
|
l | rwxrwxrwx | 34 | cif_distances_007.inp → ../inputs/cif_distances-simple.cif |
|
- | rw-r--r-- | 21 | cif_distances_007.opt |
|
- | rw-r--r-- | 68 | cif_distances_007.tst |
|
l | rwxrwxrwx | 34 | cif_distances_008.inp → ../inputs/cif_distances-simple.cif |
|
- | rw-r--r-- | 21 | cif_distances_008.opt |
|
- | rw-r--r-- | 66 | cif_distances_008.tst |
|
l | rwxrwxrwx | 29 | cif_distances_009.inp → ../inputs/2000000-trimmed.cif |
|
- | rw-r--r-- | 9 | cif_distances_009.opt |
|
l | rwxrwxrwx | 29 | cif_distances_010.inp → ../inputs/2000000-trimmed.cif |
|
- | rw-r--r-- | 3 | cif_distances_010.opt |
|
l | rwxrwxrwx | 29 | cif_distances_011.inp → ../inputs/2000000-trimmed.cif |
|
- | rw-r--r-- | 45 | cif_distances_011.opt |
|
l | rwxrwxrwx | 37 | cif_distances_012.inp → ../inputs/1506182-disorder-groups.cif |
|
- | rw-r--r-- | 28 | cif_distances_012.opt |
|
- | rw-r--r-- | 39 | cif_distances_012.tst |
|
l | rwxrwxrwx | 37 | cif_distances_013.inp → ../inputs/1506182-disorder-groups.cif |
|
- | rw-r--r-- | 50 | cif_distances_013.opt |
|
- | rw-r--r-- | 39 | cif_distances_013.tst |
|
l | rwxrwxrwx | 37 | cif_distances_014.inp → ../inputs/1506182-disorder-groups.cif |
|
- | rw-r--r-- | 3 | cif_distances_014.opt |
|
- | rw-r--r-- | 88 | cif_distances_014.tst |
|
l | rwxrwxrwx | 47 | cif_distances_015.inp → ../inputs/7202757-many-identical-atom-names.cif |
|
- | rw-r--r-- | 108 | cif_distances_015.tst |
|
l | rwxrwxrwx | 35 | cif_distances_016.inp → ../inputs/2227982-symops-over-1.cif |
|
- | rw-r--r-- | 31 | cif_distances_016.opt |
|
l | rwxrwxrwx | 42 | cif_distances_017.inp → ../inputs/9009261-all-caps-atoms-label.cif |
|
- | rw-r--r-- | 31 | cif_distances_017.opt |
|
l | rwxrwxrwx | 48 | cif_distances_018.inp → ../inputs/9009261-unrecognised-chemical-type.cif |
|
- | rw-r--r-- | 28 | cif_distances_018.opt |
|
l | rwxrwxrwx | 44 | cif_distances_019.inp → ../inputs/cif_distances-special-position.cif |
|
- | rw-r--r-- | 28 | cif_distances_019.opt |
|
- | rw-r--r-- | 39 | cif_distances_019.tst |
|
l | rwxrwxrwx | 44 | cif_distances_020.inp → ../inputs/cif_distances-special-position.cif |
|
- | rw-r--r-- | 23 | cif_distances_020.opt |
|
- | rw-r--r-- | 61 | cif_distances_020.tst |
|
l | rwxrwxrwx | 44 | cif_distances_021.inp → ../inputs/cif_distances-special-position.cif |
|
- | rw-r--r-- | 28 | cif_distances_021.opt |
|
- | rw-r--r-- | 61 | cif_distances_021.tst |
|
l | rwxrwxrwx | 43 | cif_distances_022.inp → ../inputs/cif_distances-no-cell-lengths.cif |
|
- | rw-r--r-- | 3 | cif_distances_022.opt |
|
- | rw-r--r-- | 76 | cif_distances_022.tst |
|
l | rwxrwxrwx | 42 | cif_distances_023.inp → ../inputs/cif_distances-no-cell-angles.cif |
|
- | rw-r--r-- | 3 | cif_distances_023.opt |
|
- | rw-r--r-- | 75 | cif_distances_023.tst |
|
l | rwxrwxrwx | 37 | cif_distances_024.inp → ../inputs/cif_distances-no-symops.cif |
|
- | rw-r--r-- | 3 | cif_distances_024.opt |
|
- | rw-r--r-- | 105 | cif_distances_024.tst |
|
l | rwxrwxrwx | 36 | cif_distances_025.inp → ../inputs/cif_distances-no-label.cif |
|
- | rw-r--r-- | 3 | cif_distances_025.opt |
|
- | rw-r--r-- | 120 | cif_distances_025.tst |
|
l | rwxrwxrwx | 44 | cif_distances_026.inp → ../inputs/cif_distances-unknown-elements.cif |
|
- | rw-r--r-- | 6 | cif_distances_026.opt |
|
- | rw-r--r-- | 43 | cif_distances_026.tst |
|
l | rwxrwxrwx | 44 | cif_distances_027.inp → ../inputs/cif_distances-unknown-elements.cif |
|
- | rw-r--r-- | 27 | cif_distances_027.opt |
|
- | rw-r--r-- | 43 | cif_distances_027.tst |
|
l | rwxrwxrwx | 44 | cif_distances_028.inp → ../inputs/cif_distances-unknown-elements.cif |
|
- | rw-r--r-- | 25 | cif_distances_028.opt |
|
- | rw-r--r-- | 59 | cif_distances_028.tst |
|
l | rwxrwxrwx | 44 | cif_distances_029.inp → ../inputs/cif_distances-unknown-elements.cif |
|
- | rw-r--r-- | 30 | cif_distances_029.opt |
|
- | rw-r--r-- | 59 | cif_distances_029.tst |
|
l | rwxrwxrwx | 56 | cif_distances_030.inp → ../inputs/cif_distances-disorder-assembly-underscore.cif |
|
- | rw-r--r-- | 89 | cif_distances_030.tst |
|
l | rwxrwxrwx | 56 | cif_distances_031.inp → ../inputs/cif_distances-disorder-assembly-underscore.cif |
|
- | rw-r--r-- | 35 | cif_distances_031.opt |
|
- | rw-r--r-- | 187 | cif_distances_031.tst |
|
l | rwxrwxrwx | 53 | cif_distances_032.inp → ../inputs/cif_distances-disorder-group-underscore.cif |
|
- | rw-r--r-- | 32 | cif_distances_032.opt |
|
- | rw-r--r-- | 184 | cif_distances_032.tst |
|
l | rwxrwxrwx | 49 | cif_distances_033.inp → ../inputs/cif_distances-disorder-assembly-dot.cif |
|
- | rw-r--r-- | 29 | cif_distances_033.opt |
|
- | rw-r--r-- | 187 | cif_distances_033.tst |
|
l | rwxrwxrwx | 46 | cif_distances_034.inp → ../inputs/cif_distances-disorder-group-dot.cif |
|
- | rw-r--r-- | 35 | cif_distances_034.opt |
|
- | rw-r--r-- | 184 | cif_distances_034.tst |
|
l | rwxrwxrwx | 56 | cif_distances_035.inp → ../inputs/cif_distances-disorder-assembly-underscore.cif |
|
- | rw-r--r-- | 67 | cif_distances_035.opt |
|
- | rw-r--r-- | 81 | cif_distances_035.tst |
|
l | rwxrwxrwx | 56 | cif_distances_036.inp → ../inputs/cif_distances-disorder-assembly-underscore.cif |
|
- | rw-r--r-- | 64 | cif_distances_036.opt |
|
- | rw-r--r-- | 81 | cif_distances_036.tst |
|
l | rwxrwxrwx | 37 | cif_distances_037.inp → ../inputs/cif_distances-duplicate.cif |
|
- | rw-r--r-- | 78 | cif_distances_037.tst |
|
l | rwxrwxrwx | 37 | cif_distances_038.inp → ../inputs/cif_distances-duplicate.cif |
|
- | rw-r--r-- | 31 | cif_distances_038.opt |
|
- | rw-r--r-- | 149 | cif_distances_038.tst |
|
l | rwxrwxrwx | 45 | cif_distances_039.inp → ../inputs/cif_distances-[local]-duplicate.cif |
|
- | rw-r--r-- | 31 | cif_distances_039.opt |
|
- | rw-r--r-- | 156 | cif_distances_039.tst |
|
l | rwxrwxrwx | 37 | cif_distances_040.inp → ../inputs/cif_distances-duplicate.cif |
|
- | rw-r--r-- | 65 | cif_distances_040.opt |
|
- | rw-r--r-- | 111 | cif_distances_040.tst |
|
l | rwxrwxrwx | 37 | cif_distances_041.inp → ../inputs/cif_distances-duplicate.cif |
|
- | rw-r--r-- | 62 | cif_distances_041.opt |
|
- | rw-r--r-- | 111 | cif_distances_041.tst |
|
l | rwxrwxrwx | 37 | cif_distances_042.inp → ../inputs/cif_distances-duplicate.cif |
|
- | rw-r--r-- | 59 | cif_distances_042.opt |
|
- | rw-r--r-- | 111 | cif_distances_042.tst |
|
l | rwxrwxrwx | 53 | cif_distances_043.inp → ../inputs/1506846-atom-labels-with-escape-symbols.cif |
|
- | rw-r--r-- | 50 | cif_distances_043.tst |
|
l | rwxrwxrwx | 25 | cif_estimate_Z_001.inp → ../inputs/Carbo_clean.cif |
|
l | rwxrwxrwx | 40 | cif_estimate_Z_002.inp → ../inputs/Carbo_clean-no-cell-volume.cif |
|
l | rwxrwxrwx | 39 | cif_estimate_Z_003.inp → ../inputs/estimate_Z_missing_values.cif |
|
- | rw-r--r-- | 259 | cif_estimate_Z_003.tst |
|
l | rwxrwxrwx | 38 | cif_eval_numbers_001.inp → ../inputs/1100910-simple-fractions.cif |
|
l | rwxrwxrwx | 38 | cif_eval_numbers_002.inp → ../inputs/1100910-simple-fractions.cif |
|
l | rwxrwxrwx | 37 | cif_eval_numbers_003.inp → ../inputs/2011406-xy-simple-fract.cif |
|
- | rw-r--r-- | 33 | cif_eval_numbers_003.opt |
|
l | rwxrwxrwx | 38 | cif_eval_numbers_004.inp → ../inputs/2009306-xyz-simple-fract.cif |
|
- | rw-r--r-- | 52 | cif_eval_numbers_004.opt |
|
l | rwxrwxrwx | 38 | cif_eval_numbers_005.inp → ../inputs/2009306-xyz-simple-fract.cif |
|
- | rw-r--r-- | 71 | cif_eval_numbers_005.opt |
|
l | rwxrwxrwx | 38 | cif_eval_numbers_006.inp → ../inputs/2009306-xyz-simple-fract.cif |
|
- | rw-r--r-- | 91 | cif_eval_numbers_006.opt |
|
l | rwxrwxrwx | 29 | cif_eval_numbers_007.inp → ../inputs/non-ascii-digit.cif |
|
- | rw-r--r-- | 67 | cif_eval_numbers_007.opt |
|
- | rw-r--r-- | 83 | cif_eval_numbers_007.tst |
|
l | rwxrwxrwx | 29 | cif_fillcell_001.inp → ../inputs/2100348-benzene.cif |
|
- | rw-r--r-- | 43 | cif_fillcell_001.tst |
|
l | rwxrwxrwx | 34 | cif_fillcell_002.inp → ../inputs/1011060-graphite-err.cif |
|
- | rw-r--r-- | 158 | cif_fillcell_002.tst |
|
l | rwxrwxrwx | 41 | cif_fillcell_003.inp → ../inputs/1011060-graphite-atom-label.cif |
|
- | rw-r--r-- | 119 | cif_fillcell_003.tst |
|
l | rwxrwxrwx | 47 | cif_fillcell_004.inp → ../inputs/1011060-graphite-atom-type-symbol.cif |
|
- | rw-r--r-- | 119 | cif_fillcell_004.tst |
|
l | rwxrwxrwx | 32 | cif_fillcell_005.inp → ../inputs/1000002-test-symop.cif |
|
- | rw-r--r-- | 140 | cif_fillcell_005.tst |
|
l | rwxrwxrwx | 30 | cif_fillcell_006.inp → ../inputs/1000002-test-hm2.cif |
|
- | rw-r--r-- | 206 | cif_fillcell_006.tst |
|
l | rwxrwxrwx | 29 | cif_fillcell_007.inp → ../inputs/1000002-test-hm.cif |
|
- | rw-r--r-- | 127 | cif_fillcell_007.tst |
|
l | rwxrwxrwx | 31 | cif_fillcell_008.inp → ../inputs/1000002-test-hall.cif |
|
- | rw-r--r-- | 116 | cif_fillcell_008.tst |
|
l | rwxrwxrwx | 19 | cif_fillcell_009.inp → ../inputs/10010.cif |
|
- | rw-r--r-- | 24 | cif_fillcell_009.opt |
|
- | rw-r--r-- | 30 | cif_fillcell_009.tst |
|
l | rwxrwxrwx | 19 | cif_fillcell_010.inp → ../inputs/10010.cif |
|
- | rw-r--r-- | 12 | cif_fillcell_010.opt |
|
- | rw-r--r-- | 30 | cif_fillcell_010.tst |
|
l | rwxrwxrwx | 21 | cif_fillcell_011.inp → ../inputs/4504659.cif |
|
- | rw-r--r-- | 26 | cif_fillcell_011.opt |
|
l | rwxrwxrwx | 21 | cif_fillcell_012.inp → ../inputs/4504659.cif |
|
- | rw-r--r-- | 38 | cif_fillcell_012.opt |
|
l | rwxrwxrwx | 21 | cif_fillcell_013.inp → ../inputs/1516136.cif |
|
- | rw-r--r-- | 26 | cif_fillcell_013.opt |
|
l | rwxrwxrwx | 25 | cif_filter_001.inp → ../inputs/Carbo_clean.cif |
|
l | rwxrwxrwx | 25 | cif_filter_002.inp → ../inputs/Carbo_clean.cif |
|
- | rw-r--r-- | 51 | cif_filter_002.opt |
|
l | rwxrwxrwx | 25 | cif_filter_003.inp → ../inputs/Carbo_clean.cif |
|
- | rw-r--r-- | 11 | cif_filter_003.opt |
|
l | rwxrwxrwx | 25 | cif_filter_004.inp → ../inputs/Carbo_clean.cif |
|
- | rw-r--r-- | 80 | cif_filter_004.opt |
|
l | rwxrwxrwx | 25 | cif_filter_005.inp → ../inputs/Carbo_clean.cif |
|
- | rw-r--r-- | 21 | cif_filter_005.opt |
|
l | rwxrwxrwx | 43 | cif_filter_006.inp → ../inputs/2100345-with-author-addresses.cif |
|
l | rwxrwxrwx | 21 | cif_filter_007.inp → ../inputs/1000000.cif |
|
- | rw-r--r-- | 22 | cif_filter_007.opt |
|
l | rwxrwxrwx | 21 | cif_filter_008.inp → ../inputs/1000000.cif |
|
l | rwxrwxrwx | 21 | cif_filter_009.inp → ../inputs/Burford.cif |
|
- | rw-r--r-- | 23 | cif_filter_009.opt |
|
l | rwxrwxrwx | 40 | cif_filter_010.inp → ../inputs/Carbo_clean-no-cell-volume.cif |
|
- | rw-r--r-- | 24 | cif_filter_010.opt |
|
l | rwxrwxrwx | 40 | cif_filter_011.inp → ../inputs/Carbo_clean-no-cell-volume.cif |
|
l | rwxrwxrwx | 39 | cif_filter_012.inp → ../inputs/at2246-with-cod-orig-file.cif |
|
l | rwxrwxrwx | 20 | cif_filter_013.inp → ../inputs/at2246.cif |
|
- | rw-r--r-- | 27 | cif_filter_013.opt |
|
l | rwxrwxrwx | 40 | cif_filter_014.inp → ../inputs/at2246-with-misspelled-tag.cif |
|
- | rw-r--r-- | 26 | cif_filter_014.opt |
|
l | rwxrwxrwx | 20 | cif_filter_015.inp → ../inputs/at2246.cif |
|
- | rw-r--r-- | 47 | cif_filter_015.opt |
|
l | rwxrwxrwx | 37 | cif_filter_016.inp → ../inputs/at2246-changed-tag-case.cif |
|
l | rwxrwxrwx | 40 | cif_filter_017.inp → ../inputs/at2246-with-misspelled-tag.cif |
|
l | rwxrwxrwx | 43 | cif_filter_018.inp → ../inputs/4021421-non-dict-tags-in-loop.cif |
|
l | rwxrwxrwx | 43 | cif_filter_019.inp → ../inputs/4021421-non-dict-tags-in-loop.cif |
|
- | rw-r--r-- | 26 | cif_filter_019.opt |
|
l | rwxrwxrwx | 42 | cif_filter_020.inp → ../inputs/2001826-with-special-details.cif |
|
l | rwxrwxrwx | 21 | cif_filter_021.inp → ../inputs/2001826.cif |
|
l | rwxrwxrwx | 35 | cif_filter_022.inp → ../inputs/2001826-with-vrf-text.cif |
|
l | rwxrwxrwx | 37 | cif_filter_023.inp → ../inputs/4021477-with-extra-tags.cif |
|
- | rw-r--r-- | 89 | cif_filter_023.opt |
|
l | rwxrwxrwx | 37 | cif_filter_024.inp → ../inputs/4021477-with-extra-tags.cif |
|
- | rw-r--r-- | 44 | cif_filter_024.opt |
|
l | rwxrwxrwx | 21 | cif_filter_025.inp → ../inputs/7101147.cif |
|
- | rw-r--r-- | 59 | cif_filter_025.opt |
|
l | rwxrwxrwx | 32 | cif_filter_026.inp → ../inputs/9003869-long-title.cif |
|
- | rw-r--r-- | 13 | cif_filter_026.opt |
|
l | rwxrwxrwx | 32 | cif_filter_027.inp → ../inputs/9003869-long-title.cif |
|
- | rw-r--r-- | 32 | cif_filter_027.opt |
|
l | rwxrwxrwx | 34 | cif_filter_028.inp → ../inputs/9001922-long-formula.cif |
|
- | rw-r--r-- | 19 | cif_filter_028.opt |
|
l | rwxrwxrwx | 34 | cif_filter_029.inp → ../inputs/9001922-long-formula.cif |
|
- | rw-r--r-- | 38 | cif_filter_029.opt |
|
l | rwxrwxrwx | 32 | cif_filter_030.inp → ../inputs/9003869-long-title.cif |
|
- | rw-r--r-- | 19 | cif_filter_030.opt |
|
l | rwxrwxrwx | 32 | cif_filter_031.inp → ../inputs/9003869-long-title.cif |
|
- | rw-r--r-- | 32 | cif_filter_031.opt |
|
l | rwxrwxrwx | 34 | cif_filter_032.inp → ../inputs/9001922-long-formula.cif |
|
- | rw-r--r-- | 51 | cif_filter_032.opt |
|
l | rwxrwxrwx | 42 | cif_filter_033.inp → ../inputs/9007872-one-funny-word-title.cif |
|
l | rwxrwxrwx | 42 | cif_filter_034.inp → ../inputs/9007872-one-funny-word-title.cif |
|
- | rw-r--r-- | 19 | cif_filter_034.opt |
|
l | rwxrwxrwx | 42 | cif_filter_035.inp → ../inputs/9007872-one-funny-word-title.cif |
|
- | rw-r--r-- | 32 | cif_filter_035.opt |
|
l | rwxrwxrwx | 42 | cif_filter_036.inp → ../inputs/9007872-one-funny-word-title.cif |
|
- | rw-r--r-- | 51 | cif_filter_036.opt |
|
l | rwxrwxrwx | 20 | cif_filter_037.inp → ../inputs/se0086.cif |
|
- | rw-r--r-- | 71 | cif_filter_037.opt |
|
l | rwxrwxrwx | 21 | cif_filter_038.inp → ../inputs/Cottone.cif |
|
- | rw-r--r-- | 22 | cif_filter_038.opt |
|
l | rwxrwxrwx | 26 | cif_filter_039.inp → ../inputs/2103654-head.cif |
|
- | rw-r--r-- | 22 | cif_filter_039.opt |
|
l | rwxrwxrwx | 21 | cif_filter_040.inp → ../inputs/2103700.cif |
|
- | rw-r--r-- | 22 | cif_filter_040.opt |
|
l | rwxrwxrwx | 21 | cif_filter_041.inp → ../inputs/2103867.cif |
|
- | rw-r--r-- | 22 | cif_filter_041.opt |
|
l | rwxrwxrwx | 21 | cif_filter_042.inp → ../inputs/2103956.cif |
|
- | rw-r--r-- | 22 | cif_filter_042.opt |
|
l | rwxrwxrwx | 40 | cif_filter_043.inp → ../inputs/ja063963ssi20060606_082513.cif |
|
- | rw-r--r-- | 67 | cif_filter_043.opt |
|
l | rwxrwxrwx | 41 | cif_filter_044.inp → ../inputs/4101585-truncated-page-last.cif |
|
l | rwxrwxrwx | 26 | cif_filter_045.inp → ../inputs/jo030173h_01.cif |
|
- | rw-r--r-- | 50 | cif_filter_045.opt |
|
l | rwxrwxrwx | 40 | cif_filter_046.inp → ../inputs/jo030173h_01-double-quotes.cif |
|
- | rw-r--r-- | 64 | cif_filter_046.opt |
|
l | rwxrwxrwx | 23 | cif_filter_047.inp → ../inputs/jo030050x.cif |
|
l | rwxrwxrwx | 31 | cif_filter_048.inp → ../inputs/jo701559q-File003.cif |
|
l | rwxrwxrwx | 26 | cif_filter_049.inp → ../inputs/funny_values.cif |
|
l | rwxrwxrwx | 20 | cif_filter_050.inp → ../inputs/er2044.cif |
|
- | rw-r--r-- | 71 | cif_filter_050.opt |
|
l | rwxrwxrwx | 35 | cif_filter_051.inp → ../inputs/2006992-example-of-R3.cif |
|
- | rw-r--r-- | 22 | cif_filter_051.opt |
|
l | rwxrwxrwx | 35 | cif_filter_052.inp → ../inputs/2006992-example-of-R3.cif |
|
- | rw-r--r-- | 23 | cif_filter_052.opt |
|
l | rwxrwxrwx | 20 | cif_filter_053.inp → ../inputs/bs5068.cif |
|
- | rw-r--r-- | 22 | cif_filter_053.opt |
|
l | rwxrwxrwx | 20 | cif_filter_054.inp → ../inputs/bs5069.cif |
|
- | rw-r--r-- | 22 | cif_filter_054.opt |
|
l | rwxrwxrwx | 19 | cif_filter_055.inp → ../inputs/empty.cif |
|
l | rwxrwxrwx | 19 | cif_filter_056.inp → ../inputs/00993.cif |
|
- | rw-r--r-- | 20 | cif_filter_056.opt |
|
l | rwxrwxrwx | 48 | cif_filter_057.inp → ../inputs/bs5069_data_FeZprime8-estimated-sg.cif |
|
- | rw-r--r-- | 22 | cif_filter_057.opt |
|
l | rwxrwxrwx | 21 | cif_filter_058.inp → ../inputs/1000000.cif |
|
- | rw-r--r-- | 23 | cif_filter_058.opt |
|
l | rwxrwxrwx | 38 | cif_filter_059.inp → ../inputs/1000000-with-orig-sg-H-M.cif |
|
- | rw-r--r-- | 22 | cif_filter_059.opt |
|
l | rwxrwxrwx | 25 | cif_filter_060.inp → ../inputs/00606-fixed.cif |
|
- | rw-r--r-- | 54 | cif_filter_060.opt |
|
l | rwxrwxrwx | 21 | cif_filter_061.inp → ../inputs/1001031.cif |
|
- | rw-r--r-- | 8 | cif_filter_061.opt |
|
l | rwxrwxrwx | 41 | cif_filter_062.inp → ../inputs/1100811-formula-with-spaces.cif |
|
- | rw-r--r-- | 20 | cif_filter_062.opt |
|
l | rwxrwxrwx | 21 | cif_filter_063.inp → ../inputs/1100893.cif |
|
l | rwxrwxrwx | 21 | cif_filter_064.inp → ../inputs/2201319.cif |
|
- | rw-r--r-- | 20 | cif_filter_064.opt |
|
l | rwxrwxrwx | 21 | cif_filter_065.inp → ../inputs/1101133.cif |
|
l | rwxrwxrwx | 21 | cif_filter_066.inp → ../inputs/2007325.cif |
|
- | rw-r--r-- | 20 | cif_filter_066.opt |
|
l | rwxrwxrwx | 21 | cif_filter_067.inp → ../inputs/2006596.cif |
|
- | rw-r--r-- | 20 | cif_filter_067.opt |
|
l | rwxrwxrwx | 22 | cif_filter_068.inp → ../inputs/formulae.cif |
|
- | rw-r--r-- | 20 | cif_filter_068.opt |
|
l | rwxrwxrwx | 32 | cif_filter_069.inp → ../inputs/006_ethylnitramine.cif |
|
- | rw-r--r-- | 30 | cif_filter_069.opt |
|
l | rwxrwxrwx | 33 | cif_filter_070.inp → ../inputs/014_hexabromoethane.cif |
|
- | rw-r--r-- | 30 | cif_filter_070.opt |
|
l | rwxrwxrwx | 42 | cif_filter_071.inp → ../inputs/cod_citation_special_details.cif |
|
- | rw-r--r-- | 26 | cif_filter_071.opt |
|
l | rwxrwxrwx | 43 | cif_filter_072.inp → ../inputs/2009397-no-data-block-heading.cif |
|
- | rw-r--r-- | 59 | cif_filter_072.opt |
|
l | rwxrwxrwx | 43 | cif_filter_073.inp → ../inputs/2009397-no-data-block-heading.cif |
|
- | rw-r--r-- | 20 | cif_filter_073.opt |
|
l | rwxrwxrwx | 22 | cif_filter_074.inp → ../inputs/B607768D.txt |
|
l | rwxrwxrwx | 22 | cif_filter_075.inp → ../inputs/B607768D.txt |
|
- | rw-r--r-- | 20 | cif_filter_075.opt |
|
l | rwxrwxrwx | 31 | cif_filter_076.inp → ../inputs/jo701669p-file003.cif |
|
l | rwxrwxrwx | 31 | cif_filter_077.inp → ../inputs/jo701669p-file003.cif |
|
- | rw-r--r-- | 52 | cif_filter_077.opt |
|
l | rwxrwxrwx | 36 | cif_filter_078.inp → ../inputs/se0086-no-first-header.cif |
|
- | rw-r--r-- | 42 | cif_filter_078.opt |
|
l | rwxrwxrwx | 37 | cif_filter_079.inp → ../inputs/se0086-no-second-header.cif |
|
- | rw-r--r-- | 52 | cif_filter_079.opt |
|
l | rwxrwxrwx | 22 | cif_filter_080.inp → ../inputs/b413434f.txt |
|
- | rw-r--r-- | 63 | cif_filter_080.opt |
|
l | rwxrwxrwx | 22 | cif_filter_081.inp → ../inputs/b414703k.txt |
|
- | rw-r--r-- | 56 | cif_filter_081.opt |
|
l | rwxrwxrwx | 21 | cif_filter_082.inp → ../inputs/9005728.cif |
|
- | rw-r--r-- | 6 | cif_filter_082.opt |
|
l | rwxrwxrwx | 21 | cif_filter_083.inp → ../inputs/9003354.cif |
|
- | rw-r--r-- | 24 | cif_filter_083.opt |
|
l | rwxrwxrwx | 42 | cif_filter_084.inp → ../inputs/2003757-formula-C12_B_Cl_F10.cif |
|
- | rw-r--r-- | 8 | cif_filter_084.opt |
|
l | rwxrwxrwx | 29 | cif_filter_085.inp → ../inputs/quote-in-quoted.cif |
|
l | rwxrwxrwx | 22 | cif_filter_086.inp → ../inputs/b910749e.txt |
|
- | rw-r--r-- | 49 | cif_filter_086.opt |
|
l | rwxrwxrwx | 32 | cif_filter_087.inp → ../inputs/values-as-keywords.cif |
|
l | rwxrwxrwx | 21 | cif_filter_088.inp → ../inputs/2001826.cif |
|
- | rw-r--r-- | 19 | cif_filter_088.opt |
|
l | rwxrwxrwx | 48 | cif_filter_089.inp → ../inputs/1100107-spacegroup-with-underscore.cif |
|
- | rw-r--r-- | 22 | cif_filter_089.opt |
|
l | rwxrwxrwx | 45 | cif_filter_090.inp → ../inputs/values-as-keywords-in-uppercase.cif |
|
l | rwxrwxrwx | 39 | cif_filter_091.inp → ../inputs/1100709-uqstring-brackets.cif |
|
- | rw-r--r-- | 6 | cif_filter_091.opt |
|
l | rwxrwxrwx | 41 | cif_filter_092.inp → ../inputs/4024913-with-new-symop-tags.cif |
|
- | rw-r--r-- | 22 | cif_filter_092.opt |
|
l | rwxrwxrwx | 40 | cif_filter_093.inp → ../inputs/6000001-without-cordinates.cif |
|
- | rw-r--r-- | 21 | cif_filter_093.opt |
|
- | rw-r--r-- | 50 | cif_filter_094.opt |
|
- | rw-r--r-- | 27 | cif_filter_095.opt |
|
l | rwxrwxrwx | 35 | cif_filter_096.inp → ../inputs/2006992-example-of-R3.cif |
|
- | rw-r--r-- | 24 | cif_filter_096.opt |
|
l | rwxrwxrwx | 30 | cif_filter_097.inp → ../inputs/2201353-cell-vol.cif |
|
- | rw-r--r-- | 24 | cif_filter_097.opt |
|
l | rwxrwxrwx | 30 | cif_filter_098.inp → ../inputs/2100438-cell-vol.cif |
|
- | rw-r--r-- | 24 | cif_filter_098.opt |
|
l | rwxrwxrwx | 30 | cif_filter_099.inp → ../inputs/2217081-cell-vol.cif |
|
- | rw-r--r-- | 24 | cif_filter_099.opt |
|
l | rwxrwxrwx | 30 | cif_filter_100.inp → ../inputs/2209560-cell-vol.cif |
|
- | rw-r--r-- | 24 | cif_filter_100.opt |
|
l | rwxrwxrwx | 39 | cif_filter_101.inp → ../inputs/2004325-cell-questionmark.cif |
|
- | rw-r--r-- | 7 | cif_filter_101.opt |
|
l | rwxrwxrwx | 24 | cif_filter_102.inp → ../inputs/cell-sigma.cif |
|
- | rw-r--r-- | 45 | cif_filter_102.opt |
|
l | rwxrwxrwx | 33 | cif_filter_103.inp → ../inputs/1010050-zero-sigmas.cif |
|
- | rw-r--r-- | 7 | cif_filter_103.opt |
|
l | rwxrwxrwx | 25 | cif_filter_104.inp → ../inputs/cell-sigma1.cif |
|
- | rw-r--r-- | 45 | cif_filter_104.opt |
|
l | rwxrwxrwx | 29 | cif_filter_105.inp → ../inputs/square-molecule.cif |
|
- | rw-r--r-- | 48 | cif_filter_105.opt |
|
l | rwxrwxrwx | 29 | cif_filter_106.inp → ../inputs/square-molecule.cif |
|
- | rw-r--r-- | 35 | cif_filter_106.opt |
|
l | rwxrwxrwx | 29 | cif_filter_107.inp → ../inputs/square-molecule.cif |
|
- | rw-r--r-- | 46 | cif_filter_107.opt |
|
l | rwxrwxrwx | 29 | cif_filter_108.inp → ../inputs/square-molecule.cif |
|
- | rw-r--r-- | 43 | cif_filter_108.opt |
|
l | rwxrwxrwx | 29 | cif_filter_109.inp → ../inputs/square-molecule.cif |
|
- | rw-r--r-- | 47 | cif_filter_109.opt |
|
l | rwxrwxrwx | 29 | cif_filter_110.inp → ../inputs/square-molecule.cif |
|
- | rw-r--r-- | 68 | cif_filter_110.opt |
|
l | rwxrwxrwx | 30 | cif_filter_111.inp → ../inputs/ccdc_compound_id.cif |
|
- | rw-r--r-- | 10 | cif_filter_111.opt |
|
l | rwxrwxrwx | 26 | cif_filter_112.inp → ../inputs/AMCSD0000001.cif |
|
l | rwxrwxrwx | 37 | cif_filter_113.inp → ../inputs/duplicate_identical_tag.cif |
|
- | rw-r--r-- | 24 | cif_filter_113.opt |
|
l | rwxrwxrwx | 35 | cif_filter_114.inp → ../inputs/duplicate_first_empty.cif |
|
- | rw-r--r-- | 24 | cif_filter_114.opt |
|
l | rwxrwxrwx | 36 | cif_filter_115.inp → ../inputs/duplicate_first_empty2.cif |
|
- | rw-r--r-- | 24 | cif_filter_115.opt |
|
l | rwxrwxrwx | 36 | cif_filter_116.inp → ../inputs/duplicate_second_empty.cif |
|
- | rw-r--r-- | 24 | cif_filter_116.opt |
|
l | rwxrwxrwx | 37 | cif_filter_117.inp → ../inputs/duplicate_second_empty2.cif |
|
- | rw-r--r-- | 24 | cif_filter_117.opt |
|
l | rwxrwxrwx | 32 | cif_filter_118.inp → ../inputs/duplicate_loop_tag.cif |
|
- | rw-r--r-- | 24 | cif_filter_118.opt |
|
l | rwxrwxrwx | 44 | cif_filter_119.inp → ../inputs/0000345-chem-formula-with-star.cif |
|
- | rw-r--r-- | 29 | cif_filter_119.opt |
|
l | rwxrwxrwx | 25 | cif_filter_120.inp → ../inputs/test-biblio.cif |
|
- | rw-r--r-- | 86 | cif_filter_120.opt |
|
l | rwxrwxrwx | 25 | cif_filter_121.inp → ../inputs/test-biblio.cif |
|
- | rw-r--r-- | 101 | cif_filter_121.opt |
|
l | rwxrwxrwx | 25 | cif_filter_122.inp → ../inputs/unknown_tag.cif |
|
- | rw-r--r-- | 19 | cif_filter_122.opt |
|
l | rwxrwxrwx | 27 | cif_filter_123.inp → ../inputs/global_biblio.cif |
|
- | rw-r--r-- | 21 | cif_filter_123.opt |
|
l | rwxrwxrwx | 27 | cif_filter_124.inp → ../inputs/global_biblio.cif |
|
- | rw-r--r-- | 18 | cif_filter_124.opt |
|
l | rwxrwxrwx | 25 | cif_filter_125.inp → ../inputs/test-biblio.cif |
|
- | rw-r--r-- | 23 | cif_filter_125.opt |
|
l | rwxrwxrwx | 20 | cif_filter_126.inp → ../inputs/ctrl-Z.cif |
|
l | rwxrwxrwx | 20 | cif_filter_127.inp → ../inputs/ctrl-Z.cif |
|
- | rw-r--r-- | 34 | cif_filter_127.opt |
|
l | rwxrwxrwx | 24 | cif_filter_128.inp → ../inputs/C0CC02972F.TXT |
|
- | rw-r--r-- | 38 | cif_filter_128.opt |
|
l | rwxrwxrwx | 44 | cif_filter_129.inp → ../inputs/b206079p-space-within-a-string.cif |
|
- | rw-r--r-- | 13 | cif_filter_129.opt |
|
l | rwxrwxrwx | 50 | cif_filter_130.inp → ../inputs/b110583n-datablock-names-with-spaces.cif |
|
- | rw-r--r-- | 20 | cif_filter_130.opt |
|
l | rwxrwxrwx | 44 | cif_filter_131.inp → ../inputs/b008262g-missing-closing-quote.cif |
|
- | rw-r--r-- | 24 | cif_filter_131.opt |
|
l | rwxrwxrwx | 42 | cif_filter_132.inp → ../inputs/missing-closing-double-quote.cif |
|
- | rw-r--r-- | 34 | cif_filter_132.opt |
|
l | rwxrwxrwx | 26 | cif_filter_133.inp → ../inputs/dollar_value.cif |
|
- | rw-r--r-- | 10 | cif_filter_133.opt |
|
l | rwxrwxrwx | 33 | cif_filter_134.inp → ../inputs/B009077H-latin1-enc.TXT |
|
- | rw-r--r-- | 13 | cif_filter_134.opt |
|
l | rwxrwxrwx | 42 | cif_filter_135.inp → ../inputs/7050234-non-ascii-text-field.cif |
|
l | rwxrwxrwx | 50 | cif_filter_136.inp → ../inputs/b002906h-problems-with-merged-biblio.cif |
|
- | rw-r--r-- | 54 | cif_filter_136.opt |
|
l | rwxrwxrwx | 50 | cif_filter_137.inp → ../inputs/b002906h-problems-with-merged-biblio.cif |
|
- | rw-r--r-- | 75 | cif_filter_137.opt |
|
l | rwxrwxrwx | 24 | cif_filter_138.inp → ../inputs/data_empty.cif |
|
l | rwxrwxrwx | 20 | cif_filter_139.inp → ../inputs/zq2107.cif |
|
- | rw-r--r-- | 10 | cif_filter_139.opt |
|
l | rwxrwxrwx | 36 | cif_filter_140.inp → ../inputs/2004198-no-cell-angles.cif |
|
l | rwxrwxrwx | 21 | cif_filter_141.inp → ../inputs/2231779.cif |
|
l | rwxrwxrwx | 21 | cif_filter_142.inp → ../inputs/1501508.cif |
|
l | rwxrwxrwx | 30 | cif_filter_143.inp → ../inputs/1011060-graphite.cif |
|
- | rw-r--r-- | 35 | cif_filter_143.opt |
|
- | rw-r--r-- | 91 | cif_filter_144.inp |
|
- | rw-r--r-- | 34 | cif_filter_144.opt |
|
- | rw-r--r-- | 44 | cif_filter_145.inp |
|
- | rw-r--r-- | 16 | cif_filter_145.opt |
|
l | rwxrwxrwx | 39 | cif_filter_146.inp → ../inputs/1100709-uqstring-brackets.cif |
|
- | rw-r--r-- | 59 | cif_filter_147.inp |
|
l | rwxrwxrwx | 32 | cif_filter_148.inp → ../inputs/2015717-long-title.cif |
|
l | rwxrwxrwx | 33 | cif_filter_149.inp → ../inputs/ja1092375_si_003_ED.cif |
|
l | rwxrwxrwx | 22 | cif_filter_150.inp → ../inputs/10000001.cif |
|
- | rw-r--r-- | 43 | cif_filter_150.opt |
|
l | rwxrwxrwx | 22 | cif_filter_151.inp → ../inputs/10000001.cif |
|
- | rw-r--r-- | 55 | cif_filter_151.opt |
|
l | rwxrwxrwx | 22 | cif_filter_152.inp → ../inputs/20000097.cif |
|
l | rwxrwxrwx | 21 | cif_filter_153.inp → ../inputs/4001780.cif |
|
l | rwxrwxrwx | 30 | cif_filter_154.inp → ../inputs/cm903170t_si_001.cif |
|
- | rw-r--r-- | 61 | cif_filter_154.opt |
|
l | rwxrwxrwx | 21 | cif_filter_155.inp → ../inputs/1000023.cif |
|
l | rwxrwxrwx | 22 | cif_filter_156.inp → ../inputs/b413434f.txt |
|
- | rw-r--r-- | 45 | cif_filter_156.opt |
|
l | rwxrwxrwx | 21 | cif_filter_157.inp → ../inputs/9003354.cif |
|
- | rw-r--r-- | 21 | cif_filter_157.opt |
|
l | rwxrwxrwx | 34 | cif_filter_158.inp → ../inputs/dummy_CIF_Core_2.4.4.cif |
|
- | rw-r--r-- | 83 | cif_filter_158.tst |
|
l | rwxrwxrwx | 29 | cif_filter_159.inp → ../inputs/square-molecule.cif |
|
- | rw-r--r-- | 35 | cif_filter_159.opt |
|
l | rwxrwxrwx | 29 | cif_filter_160.inp → ../inputs/square-molecule.cif |
|
- | rw-r--r-- | 32 | cif_filter_160.opt |
|
l | rwxrwxrwx | 47 | cif_filter_161.inp → ../inputs/Acta-Chem-Scand-1999-53-103-113-1.cif |
|
- | rw-r--r-- | 23 | cif_filter_161.opt |
|
l | rwxrwxrwx | 28 | cif_filter_162.inp → ../inputs/aiida_exported.cif |
|
l | rwxrwxrwx | 20 | cif_filter_163.inp → ../inputs/at2246.cif |
|
- | rw-r--r-- | 98 | cif_filter_163.opt |
|
l | rwxrwxrwx | 36 | cif_filter_164.inp → ../inputs/sn5100-superspacegroup.cif |
|
- | rw-r--r-- | 22 | cif_filter_164.opt |
|
l | rwxrwxrwx | 24 | cif_filter_165.inp → ../inputs/sn5033sup1.cif |
|
- | rw-r--r-- | 22 | cif_filter_165.opt |
|
l | rwxrwxrwx | 37 | cif_filter_166.inp → ../inputs/2100428-superspacegroup.cif |
|
- | rw-r--r-- | 22 | cif_filter_166.opt |
|
l | rwxrwxrwx | 37 | cif_filter_167.inp → ../inputs/2105506-superspacegroup.cif |
|
- | rw-r--r-- | 17 | cif_filter_167.opt |
|
l | rwxrwxrwx | 39 | cif_filter_168.inp → ../inputs/2105936-strange-centering.cif |
|
- | rw-r--r-- | 9 | cif_filter_168.opt |
|
l | rwxrwxrwx | 29 | cif_filter_169.inp → ../inputs/sg_names_with_e.cif |
|
- | rw-r--r-- | 60 | cif_filter_169.opt |
|
- | rw-r--r-- | 92 | cif_filter_169.tst |
|
l | rwxrwxrwx | 31 | cif_filter_170.inp → ../inputs/sg_estimate_Aeaa1.cif |
|
- | rw-r--r-- | 59 | cif_filter_170.opt |
|
- | rw-r--r-- | 162 | cif_filter_170.tst |
|
l | rwxrwxrwx | 43 | cif_filter_171.inp → ../inputs/match-multiple-bibliographies.cif |
|
- | rw-r--r-- | 56 | cif_filter_171.opt |
|
- | rw-r--r-- | 291 | cif_filter_171.tst |
|
l | rwxrwxrwx | 55 | cif_filter_172.inp → ../../tests/inputs/no-match-multiple-bibliographies.cif |
|
- | rw-r--r-- | 56 | cif_filter_172.opt |
|
- | rw-r--r-- | 310 | cif_filter_172.tst |
|
l | rwxrwxrwx | 31 | cif_filter_173.inp → ../inputs/2000000-no-symops.cif |
|
- | rw-r--r-- | 22 | cif_filter_173.opt |
|
- | rw-r--r-- | 202 | cif_filter_173.tst |
|
l | rwxrwxrwx | 36 | cif_filter_174.inp → ../inputs/missing-cell-constants.cif |
|
- | rw-r--r-- | 24 | cif_filter_174.opt |
|
- | rw-r--r-- | 164 | cif_filter_174.tst |
|
l | rwxrwxrwx | 25 | cif_filter_175.inp → ../inputs/test-biblio.cif |
|
- | rw-r--r-- | 51 | cif_filter_175.opt |
|
- | rw-r--r-- | 395 | cif_filter_175.tst |
|
l | rwxrwxrwx | 37 | cif_filter_176.inp → ../inputs/duplicate_second_empty2.cif |
|
- | rw-r--r-- | 21 | cif_filter_176.opt |
|
l | rwxrwxrwx | 33 | cif_filter_177.inp → ../inputs/irresolvable-symops.cif |
|
- | rw-r--r-- | 22 | cif_filter_177.opt |
|
- | rw-r--r-- | 80 | cif_filter_177.tst |
|
l | rwxrwxrwx | 33 | cif_filter_178.inp → ../inputs/various-CIF2-values.cif |
|
- | rw-r--r-- | 10 | cif_filter_178.opt |
|
l | rwxrwxrwx | 27 | cif_filter_179.inp → ../inputs/CIF2-features.cif |
|
- | rw-r--r-- | 10 | cif_filter_179.opt |
|
l | rwxrwxrwx | 26 | cif_filter_180.inp → ../inputs/DDLm_3.11.09.dic |
|
- | rw-r--r-- | 52 | cif_filter_180.opt |
|
l | rwxrwxrwx | 21 | cif_filter_181.inp → ../inputs/generic.cif |
|
- | rw-r--r-- | 83 | cif_filter_181.opt |
|
l | rwxrwxrwx | 25 | cif_filter_182.inp → ../inputs/test-biblio.cif |
|
- | rw-r--r-- | 79 | cif_filter_182.opt |
|
l | rwxrwxrwx | 27 | cif_filter_183.inp → ../inputs/CIF2-features.cif |
|
- | rw-r--r-- | 79 | cif_filter_183.opt |
|
l | rwxrwxrwx | 20 | cif_filter_184.inp → ../inputs/se0086.cif |
|
- | rw-r--r-- | 47 | cif_filter_184.opt |
|
l | rwxrwxrwx | 32 | cif_filter_185.inp → ../inputs/placeholder-values.cif |
|
- | rw-r--r-- | 37 | cif_filter_185.opt |
|
- | rw-r--r-- | 45 | cif_filter_185.tst |
|
l | rwxrwxrwx | 32 | cif_filter_186.inp → ../inputs/placeholder-values.cif |
|
- | rw-r--r-- | 40 | cif_filter_186.opt |
|
- | rw-r--r-- | 48 | cif_filter_186.tst |
|
l | rwxrwxrwx | 32 | cif_filter_187.inp → ../inputs/placeholder-values.cif |
|
- | rw-r--r-- | 87 | cif_filter_187.opt |
|
- | rw-r--r-- | 41 | cif_filter_187.tst |
|
l | rwxrwxrwx | 37 | cif_filter_188.inp → ../inputs/redudant-chemical-names.cif |
|
- | rw-r--r-- | 45 | cif_filter_188.opt |
|
- | rw-r--r-- | 53 | cif_filter_188.tst |
|
l | rwxrwxrwx | 37 | cif_filter_189.inp → ../inputs/redudant-chemical-names.cif |
|
- | rw-r--r-- | 83 | cif_filter_189.opt |
|
- | rw-r--r-- | 56 | cif_filter_189.tst |
|
l | rwxrwxrwx | 37 | cif_filter_190.inp → ../inputs/redudant-chemical-names.cif |
|
- | rw-r--r-- | 26 | cif_filter_190.opt |
|
- | rw-r--r-- | 98 | cif_filter_190.tst |
|
l | rwxrwxrwx | 21 | cif_find_duplicates_001.inp → ../inputs/2003003.cif |
|
- | rw-r--r-- | 25 | cif_find_duplicates_001.opt |
|
- | rw-r--r-- | 74 | cif_find_duplicates_002.opt |
|
- | rw-r--r-- | 61 | cif_find_duplicates_003.opt |
|
- | rw-r--r-- | 86 | cif_find_duplicates_004.opt |
|
- | rw-r--r-- | 56 | cif_find_duplicates_005.opt |
|
- | rw-r--r-- | 54 | cif_find_duplicates_006.opt |
|
- | rw-r--r-- | 56 | cif_find_duplicates_007.opt |
|
- | rw-r--r-- | 56 | cif_find_duplicates_008.opt |
|
- | rw-r--r-- | 54 | cif_find_duplicates_009.opt |
|
- | rw-r--r-- | 70 | cif_find_duplicates_010.opt |
|
- | rw-r--r-- | 70 | cif_find_duplicates_011.opt |
|
l | rwxrwxrwx | 21 | cif_find_symmetry_001.inp → ../inputs/4302503.cif |
|
- | rw-r--r-- | 147 | cif_find_symmetry_001.tst |
|
l | rwxrwxrwx | 21 | cif_find_symmetry_002.inp → ../inputs/7105870.cif |
|
l | rwxrwxrwx | 21 | cif_find_symmetry_003.inp → ../inputs/4105680.cif |
|
- | rwxr-xr-x | 132 | cif_find_symmetry_004.chk |
|
l | rwxrwxrwx | 21 | cif_find_symmetry_004.inp → ../inputs/4117533.cif |
|
l | rwxrwxrwx | 29 | cif_find_symmetry_005.inp → ../inputs/4105680-slanted.cif |
|
- | rw-r--r-- | 269 | cif_find_symmetry_005.tst |
|
l | rwxrwxrwx | 21 | cif_find_symmetry_006.inp → ../inputs/9000079.cif |
|
- | rw-r--r-- | 77 | cif_find_symmetry_006.tst |
|
l | rwxrwxrwx | 24 | cif_find_symmetry_007.inp → ../inputs/1010003-P1.cif |
|
- | rw-r--r-- | 354 | cif_find_symmetry_007.tst |
|
l | rwxrwxrwx | 23 | cif_find_symmetry_008.inp → ../inputs/oqmd-1514.cif |
|
- | rw-r--r-- | 102 | cif_find_symmetry_008.tst |
|
l | rwxrwxrwx | 25 | cif_find_symmetry_009.chk → cif_find_symmetry_004.chk |
|
l | rwxrwxrwx | 25 | cif_find_symmetry_009.inp → ../inputs/oqmd-104812.cif |
|
l | rwxrwxrwx | 25 | cif_find_symmetry_010.inp → ../inputs/oqmd-104830.cif |
|
- | rw-r--r-- | 87 | cif_find_symmetry_010.tst |
|
l | rwxrwxrwx | 26 | cif_find_symmetry_011.inp → ../inputs/oqmd-1120390.cif |
|
l | rwxrwxrwx | 25 | cif_find_symmetry_012.chk → cif_find_symmetry_004.chk |
|
l | rwxrwxrwx | 26 | cif_find_symmetry_012.inp → ../inputs/oqmd-1769667.cif |
|
l | rwxrwxrwx | 26 | cif_find_symmetry_013.inp → ../inputs/oqmd-1837564.cif |
|
l | rwxrwxrwx | 21 | cif_fix_values_001.inp → ../inputs/2103919.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_001.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_002.inp → ../inputs/2103766.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_002.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_003.inp → ../inputs/2009480.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_003.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_004.inp → ../inputs/4024741.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_004.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_005.inp → ../inputs/2004650.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_005.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_006.inp → ../inputs/2010359.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_006.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_007.inp → ../inputs/2202388.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_007.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_008.inp → ../inputs/2209449.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_008.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_009.inp → ../inputs/2204271.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_009.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_010.inp → ../inputs/4062491.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_010.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_011.inp → ../inputs/4023987.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_011.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_012.inp → ../inputs/8100760.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_012.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_013.inp → ../inputs/4023218.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_013.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_014.inp → ../inputs/2006199.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_014.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_015.inp → ../inputs/2006465.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_015.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_016.inp → ../inputs/2006343.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_016.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_017.inp → ../inputs/2011885.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_017.opt |
|
l | rwxrwxrwx | 43 | cif_fix_values_018.inp → ../inputs/7103889_incorrect_temperature.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_018.opt |
|
l | rwxrwxrwx | 42 | cif_fix_values_019.inp → ../inputs/2002913_modified_temperature.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_019.opt |
|
l | rwxrwxrwx | 39 | cif_fix_values_020.inp → ../inputs/4023341_modif_temperature.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_020.opt |
|
l | rwxrwxrwx | 28 | cif_fix_values_023.inp → ../inputs/cif_fix_val_23.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_023.opt |
|
l | rwxrwxrwx | 29 | cif_fix_values_024.inp → ../inputs/cif_fix_val_024.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_024.opt |
|
l | rwxrwxrwx | 41 | cif_fix_values_025.inp → ../inputs/2001507_temperature_ambiant.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_025.opt |
|
l | rwxrwxrwx | 35 | cif_fix_values_026.inp → ../inputs/2001174_fix_precision.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_026.opt |
|
l | rwxrwxrwx | 38 | cif_fix_values_027.inp → ../inputs/2001508_room_temperature.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_027.opt |
|
l | rwxrwxrwx | 46 | cif_fix_values_028.inp → ../inputs/2007359-temperature-values-modif.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_028.opt |
|
l | rwxrwxrwx | 39 | cif_fix_values_029.inp → ../inputs/2200674_temperature_gt_lt.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_029.opt |
|
l | rwxrwxrwx | 34 | cif_fix_values_030.inp → ../inputs/2003136_ininit_value.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_030.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_031.inp → ../inputs/2000642.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_031.opt |
|
l | rwxrwxrwx | 39 | cif_fix_values_032.inp → ../inputs/4302974_undef_temperature.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_032.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_033.inp → ../inputs/2006609.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_033.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_034.inp → ../inputs/4300690.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_034.opt |
|
l | rwxrwxrwx | 39 | cif_fix_values_035.inp → ../inputs/2102846-undef-temperature.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_035.opt |
|
l | rwxrwxrwx | 35 | cif_fix_values_036.inp → ../inputs/2210104-temperature-C.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_036.opt |
|
l | rwxrwxrwx | 41 | cif_fix_values_037.inp → ../inputs/7100406-degrees-cendigrades.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_037.opt |
|
l | rwxrwxrwx | 47 | cif_fix_values_038.inp → ../inputs/2010568-decomposition-temperature.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_038.opt |
|
l | rwxrwxrwx | 37 | cif_fix_values_039.inp → ../inputs/2010500-dec-temperature.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_039.opt |
|
l | rwxrwxrwx | 47 | cif_fix_values_040.inp → ../inputs/2200223-decomposition-temperature.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_040.opt |
|
l | rwxrwxrwx | 37 | cif_fix_values_041.inp → ../inputs/2006115-dec-temperature.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_041.opt |
|
l | rwxrwxrwx | 41 | cif_fix_values_042.inp → ../inputs/4022630-degrees-cendigrades.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_042.opt |
|
l | rwxrwxrwx | 33 | cif_fix_values_043.inp → ../inputs/7102386-cendigrades.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_043.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_044.inp → ../inputs/4021067.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_044.opt |
|
l | rwxrwxrwx | 35 | cif_fix_values_045.inp → ../inputs/2008199-decomposition.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_045.opt |
|
l | rwxrwxrwx | 47 | cif_fix_values_046.inp → ../inputs/2219463_decomposition_temperature.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_046.opt |
|
l | rwxrwxrwx | 35 | cif_fix_values_047.inp → ../inputs/2007089-decomposition.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_047.opt |
|
l | rwxrwxrwx | 35 | cif_fix_values_048.inp → ../inputs/2008199-decomposition.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_048.opt |
|
l | rwxrwxrwx | 35 | cif_fix_values_049.inp → ../inputs/2101915-decomposition.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_049.opt |
|
l | rwxrwxrwx | 46 | cif_fix_values_050.inp → ../inputs/2013037_decoposition_temperature.cif |
|
l | rwxrwxrwx | 49 | cif_fix_values_051.inp → ../inputs/b500209E-multiple-temperature-fixes.txt |
|
- | rw-r--r-- | 19 | cif_fix_values_051.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_052.inp → ../inputs/2013611.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_052.opt |
|
l | rwxrwxrwx | 42 | cif_fix_values_053.inp → ../inputs/b204675j-decomposition-range.cif |
|
l | rwxrwxrwx | 36 | cif_fix_values_054.inp → ../inputs/2220351-replace-values.cif |
|
- | rw-r--r-- | 75 | cif_fix_values_054.opt |
|
l | rwxrwxrwx | 38 | cif_fix_values_055.inp → ../inputs/1100929-incorrect-values.cif |
|
- | rw-r--r-- | 75 | cif_fix_values_055.opt |
|
l | rwxrwxrwx | 36 | cif_fix_values_056.inp → ../inputs/1100163-correct-values.cif |
|
- | rw-r--r-- | 75 | cif_fix_values_056.opt |
|
l | rwxrwxrwx | 36 | cif_fix_values_057.inp → ../inputs/2010316-correct-values.cif |
|
- | rw-r--r-- | 75 | cif_fix_values_057.opt |
|
l | rwxrwxrwx | 36 | cif_fix_values_058.inp → ../inputs/4022229-correct-values.cif |
|
- | rw-r--r-- | 75 | cif_fix_values_058.opt |
|
l | rwxrwxrwx | 36 | cif_fix_values_059.inp → ../inputs/2100156-correct-values.cif |
|
- | rw-r--r-- | 75 | cif_fix_values_059.opt |
|
l | rwxrwxrwx | 36 | cif_fix_values_060.inp → ../inputs/2207381-correct-values.cif |
|
- | rw-r--r-- | 75 | cif_fix_values_060.opt |
|
l | rwxrwxrwx | 36 | cif_fix_values_061.inp → ../inputs/4100752-correct-values.cif |
|
- | rw-r--r-- | 77 | cif_fix_values_061.opt |
|
l | rwxrwxrwx | 36 | cif_fix_values_062.inp → ../inputs/2100156-correct-values.cif |
|
- | rw-r--r-- | 70 | cif_fix_values_062.opt |
|
- | rw-r--r-- | 3,887 | cif_fix_values_063.inp |
|
- | rw-r--r-- | 42 | cif_fix_values_063.opt |
|
- | rw-r--r-- | 3,080 | cif_fix_values_064.inp |
|
- | rw-r--r-- | 44 | cif_fix_values_064.opt |
|
- | rw-r--r-- | 3,080 | cif_fix_values_065.inp |
|
- | rw-r--r-- | 44 | cif_fix_values_065.opt |
|
l | rwxrwxrwx | 44 | cif_fix_values_066.inp → ../inputs/1000000-only-temperature-sigma.cif |
|
- | rw-r--r-- | 42 | cif_fix_values_066.opt |
|
l | rwxrwxrwx | 48 | cif_fix_values_067.inp → ../inputs/1000000-negative-temperature-sigma.cif |
|
- | rw-r--r-- | 42 | cif_fix_values_067.opt |
|
l | rwxrwxrwx | 34 | cif_fix_values_068.inp → ../inputs/1000000-decomp-sigma.cif |
|
- | rw-r--r-- | 42 | cif_fix_values_068.opt |
|
- | rw-r--r-- | 8,157 | cif_fix_values_069.inp |
|
- | rw-r--r-- | 77 | cif_fix_values_069.opt |
|
l | rwxrwxrwx | 53 | cif_fix_values_070.inp → ../inputs/2201996-temperature-decomposition-sigma.cif |
|
- | rw-r--r-- | 37 | cif_fix_values_070.opt |
|
l | rwxrwxrwx | 42 | cif_fix_values_071.inp → ../inputs/2005046-temperature-ambiante.cif |
|
l | rwxrwxrwx | 46 | cif_fix_values_072.inp → ../inputs/7106028-temerature-not-important.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_072.opt |
|
l | rwxrwxrwx | 37 | cif_fix_values_073.inp → ../inputs/7101937-degrees-celsius.cif |
|
l | rwxrwxrwx | 36 | cif_fix_values_074.inp → ../inputs/7004184-decomp-celsius.cif |
|
- | rw-r--r-- | 19 | cif_fix_values_074.opt |
|
l | rwxrwxrwx | 33 | cif_fix_values_075.inp → ../inputs/1100163-modif-enums.cif |
|
- | rw-r--r-- | 134 | cif_fix_values_075.opt |
|
l | rwxrwxrwx | 33 | cif_fix_values_076.inp → ../inputs/1100163-modif-enums.cif |
|
- | rw-r--r-- | 62 | cif_fix_values_076.opt |
|
l | rwxrwxrwx | 27 | cif_fix_values_077.inp → ../inputs/2005992-enums.cif |
|
- | rw-r--r-- | 64 | cif_fix_values_077.opt |
|
l | rwxrwxrwx | 33 | cif_fix_values_078.inp → ../inputs/1100163-modif-enums.cif |
|
- | rw-r--r-- | 39 | cif_fix_values_078.opt |
|
l | rwxrwxrwx | 27 | cif_fix_values_079.inp → ../inputs/1100163-enums.cif |
|
- | rw-r--r-- | 73 | cif_fix_values_079.opt |
|
l | rwxrwxrwx | 26 | cif_fix_values_080.inp → ../inputs/4022310-enum.cif |
|
- | rw-r--r-- | 39 | cif_fix_values_080.opt |
|
l | rwxrwxrwx | 27 | cif_fix_values_081.inp → ../inputs/1100809-enums.cif |
|
- | rw-r--r-- | 39 | cif_fix_values_081.opt |
|
l | rwxrwxrwx | 27 | cif_fix_values_082.inp → ../inputs/2200981-enums.cif |
|
- | rw-r--r-- | 39 | cif_fix_values_082.opt |
|
l | rwxrwxrwx | 33 | cif_fix_values_083.inp → ../inputs/1100933-modif-enums.cif |
|
- | rw-r--r-- | 67 | cif_fix_values_083.opt |
|
- | rw-r--r-- | 329 | cif_fix_values_083.tst |
|
l | rwxrwxrwx | 36 | cif_fix_values_084.inp → ../inputs/1101171-enums-varnings.cif |
|
- | rw-r--r-- | 57 | cif_fix_values_084.opt |
|
l | rwxrwxrwx | 32 | cif_fix_values_085.inp → ../inputs/1101101-enum-notes.cif |
|
- | rw-r--r-- | 39 | cif_fix_values_085.opt |
|
l | rwxrwxrwx | 36 | cif_fix_values_086.inp → ../inputs/1100933-enums-warnings.cif |
|
- | rw-r--r-- | 57 | cif_fix_values_086.opt |
|
l | rwxrwxrwx | 42 | cif_fix_values_087.inp → ../inputs/2001207-abs-corr-with-biblio.cif |
|
- | rw-r--r-- | 39 | cif_fix_values_087.opt |
|
l | rwxrwxrwx | 42 | cif_fix_values_088.inp → ../inputs/b303335j-multiple-enum-fixes.txt |
|
- | rw-r--r-- | 39 | cif_fix_values_088.opt |
|
l | rwxrwxrwx | 33 | cif_fix_values_089.inp → ../inputs/1100163-modif-enums.cif |
|
- | rw-r--r-- | 33 | cif_fix_values_089.opt |
|
l | rwxrwxrwx | 27 | cif_fix_values_090.inp → ../inputs/2011014-enums.cif |
|
- | rw-r--r-- | 39 | cif_fix_values_090.opt |
|
l | rwxrwxrwx | 36 | cif_fix_values_091.inp → ../inputs/1000000-modified-enums.cif |
|
- | rw-r--r-- | 39 | cif_fix_values_091.opt |
|
l | rwxrwxrwx | 33 | cif_fix_values_092.inp → ../inputs/1100933-modif-enums.cif |
|
- | rw-r--r-- | 57 | cif_fix_values_092.opt |
|
l | rwxrwxrwx | 36 | cif_fix_values_093.inp → ../inputs/1000000-modified-enums.cif |
|
- | rw-r--r-- | 61 | cif_fix_values_093.opt |
|
l | rwxrwxrwx | 44 | cif_fix_values_094.inp → ../inputs/2211061-modified-enum-comments.cif |
|
- | rw-r--r-- | 61 | cif_fix_values_094.opt |
|
l | rwxrwxrwx | 27 | cif_fix_values_095.inp → ../inputs/2005992-enums.cif |
|
- | rw-r--r-- | 39 | cif_fix_values_095.opt |
|
l | rwxrwxrwx | 30 | cif_fix_values_096.inp → ../inputs/2001811_new_line.cif |
|
l | rwxrwxrwx | 31 | cif_fix_values_097.inp → ../inputs/2000000_e_kelvins.cif |
|
l | rwxrwxrwx | 35 | cif_fix_values_098.inp → ../inputs/2000000_e_temperature.cif |
|
l | rwxrwxrwx | 26 | cif_fix_values_099.inp → ../inputs/2008009-set1.cif |
|
- | rw-r--r-- | 18 | cif_fix_values_099.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_100.inp → ../inputs/4024741.cif |
|
l | rwxrwxrwx | 21 | cif_fix_values_101.inp → ../inputs/4024741.cif |
|
- | rw-r--r-- | 24 | cif_fix_values_101.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_102.inp → ../inputs/4024741.cif |
|
- | rw-r--r-- | 22 | cif_fix_values_102.opt |
|
l | rwxrwxrwx | 21 | cif_fix_values_103.inp → ../inputs/4024741.cif |
|
- | rw-r--r-- | 41 | cif_fix_values_103.opt |
|
l | rwxrwxrwx | 30 | cif_fix_values_104.inp → ../inputs/fix-density-meas.cif |
|
l | rwxrwxrwx | 40 | cif_fix_values_105.inp → ../inputs/2000000-cif-special-values.cif |
|
- | rw-r--r-- | 23 | cif_fix_values_105.opt |
|
- | rw-r--r-- | 183 | cif_fix_values_105.tst |
|
l | rwxrwxrwx | 41 | cif_fix_values_106.inp → ../inputs/test_for_replacement_values.cif |
|
- | rw-r--r-- | 63 | cif_fix_values_106.opt |
|
- | rw-r--r-- | 112 | cif_fix_values_106.tst |
|
l | rwxrwxrwx | 50 | cif_fix_values_107.inp → ../inputs/fix-misspelled-symmetry-cell-setting.cif |
|
- | rw-r--r-- | 58 | cif_fix_values_107.opt |
|
l | rwxrwxrwx | 34 | cif_fix_values_108.inp → ../inputs/refinement_flags_set.cif |
|
- | rw-r--r-- | 15 | cif_fix_values_108.opt |
|
- | rw-r--r-- | 29 | cif_fix_values_108.tst |
|
l | rwxrwxrwx | 34 | cif_fix_values_109.inp → ../inputs/refinement_flags_set.cif |
|
- | rw-r--r-- | 18 | cif_fix_values_109.opt |
|
- | rw-r--r-- | 32 | cif_fix_values_109.tst |
|
l | rwxrwxrwx | 21 | cif_fix_values_110.inp → ../inputs/2007300.cif |
|
- | rw-r--r-- | 24 | cif_fix_values_110.opt |
|
l | rwxrwxrwx | 64 | cif_fix_values_111.inp → ../inputs/exptl_crystal_density_meas_with_Mg_per_m3_and_temp.cif |
|
- | rw-r--r-- | 24 | cif_fix_values_111.opt |
|
l | rwxrwxrwx | 48 | cif_fix_values_112.inp → ../inputs/1100914-incorrect-weighting-scheme.cif |
|
- | rw-r--r-- | 28 | cif_fix_values_112.opt |
|
l | rwxrwxrwx | 48 | cif_fix_values_113.inp → ../inputs/2001495-incorrect-weighting-scheme.cif |
|
- | rw-r--r-- | 28 | cif_fix_values_113.opt |
|
l | rwxrwxrwx | 34 | cif_fix_values_114.inp → ../inputs/fix-weighting-scheme.cif |
|
- | rw-r--r-- | 28 | cif_fix_values_114.opt |
|
l | rwxrwxrwx | 37 | cif_fix_values_115.inp → ../inputs/7027799-fix-temperature.cif |
|
- | rw-r--r-- | 23 | cif_fix_values_115.opt |
|
l | rwxrwxrwx | 37 | cif_fix_values_116.inp → ../inputs/7012538-fix-temperature.cif |
|
- | rw-r--r-- | 23 | cif_fix_values_116.opt |
|
- | rw-r--r-- | 74 | cif_fix_values_117.opt |
|
l | rwxrwxrwx | 50 | cif_fix_values_118.inp → ../inputs/allcod-atom-sites-solution-hydrogens.cif |
|
l | rwxrwxrwx | 27 | cif_fix_values_119.inp → ../inputs/prefixed-dois.cif |
|
l | rwxrwxrwx | 29 | cif_fix_values_120.inp → ../inputs/1505873-excerpt.cif |
|
l | rwxrwxrwx | 35 | cif_fix_values_121.inp → ../inputs/looped_fixable_values.cif |
|
- | rw-r--r-- | 160 | cif_fix_values_121.tst |
|
l | rwxrwxrwx | 36 | cif_hkl_COD_number_001.inp → ../inputs/bk5076100Ksup2-extract.fcf |
|
l | rwxrwxrwx | 19 | cif_hkl_COD_number_002.inp → ../inputs/empty.cif |
|
- | rw-r--r-- | 34 | cif_hkl_COD_number_002.tst |
|
l | rwxrwxrwx | 36 | cif_hkl_COD_number_003.inp → ../inputs/bk5076100Ksup2-extract.fcf |
|
- | rw-r--r-- | 16 | cif_hkl_COD_number_003.opt |
|
- | rw-r--r-- | 67 | cif_hkl_COD_number_003.tst |
|
l | rwxrwxrwx | 36 | cif_hkl_COD_number_004.inp → ../inputs/bk5076100Ksup2-extract.fcf |
|
- | rw-r--r-- | 32 | cif_hkl_COD_number_004.opt |
|
- | rw-r--r-- | 36 | cif_hkl_COD_number_004.tst |
|
- | rw-r--r-- | 66 | cif_hkl_check_001.opt |
|
- | rw-r--r-- | 66 | cif_hkl_check_002.opt |
|
- | rw-r--r-- | 76 | cif_hkl_check_003.opt |
|
- | rw-r--r-- | 84 | cif_hkl_check_004.opt |
|
- | rw-r--r-- | 78 | cif_hkl_check_005.opt |
|
- | rw-r--r-- | 72 | cif_hkl_check_006.opt |
|
- | rw-r--r-- | 84 | cif_hkl_check_007.opt |
|
- | rw-r--r-- | 84 | cif_hkl_check_008.opt |
|
- | rw-r--r-- | 68 | cif_hkl_check_009.opt |
|
- | rw-r--r-- | 56 | cif_hkl_check_010.opt |
|
- | rw-r--r-- | 50 | cif_hkl_check_011.opt |
|
- | rw-r--r-- | 50 | cif_hkl_check_012.opt |
|
- | rw-r--r-- | 87 | cif_hkl_check_013.opt |
|
- | rw-r--r-- | 98 | cif_hkl_check_014.opt |
|
- | rw-r--r-- | 83 | cif_hkl_check_015.opt |
|
- | rw-r--r-- | 86 | cif_hkl_check_016.opt |
|
- | rw-r--r-- | 50 | cif_hkl_check_017.opt |
|
- | rw-r--r-- | 98 | cif_mark_disorder_001.opt |
|
l | rwxrwxrwx | 21 | cif_mark_disorder_002.inp → ../inputs/9011732.cif |
|
l | rwxrwxrwx | 21 | cif_mark_disorder_003.inp → ../inputs/9000025.cif |
|
- | rw-r--r-- | 60 | cif_mark_disorder_003.tst |
|
l | rwxrwxrwx | 21 | cif_mark_disorder_004.inp → ../inputs/9000087.cif |
|
l | rwxrwxrwx | 21 | cif_mark_disorder_005.inp → ../inputs/9000019.cif |
|
l | rwxrwxrwx | 21 | cif_mark_disorder_006.inp → ../inputs/9000195.cif |
|
l | rwxrwxrwx | 21 | cif_mark_disorder_007.inp → ../inputs/2000507.cif |
|
- | rw-r--r-- | 114 | cif_mark_disorder_007.tst |
|
l | rwxrwxrwx | 35 | cif_mark_disorder_008.inp → ../inputs/9011732-fake-disorder.cif |
|
- | rw-r--r-- | 56 | cif_mark_disorder_008.tst |
|
l | rwxrwxrwx | 33 | cif_mark_disorder_009.inp → ../inputs/9011732-no-assembly.cif |
|
l | rwxrwxrwx | 46 | cif_mark_disorder_010.inp → ../inputs/7106028-temerature-not-important.cif |
|
l | rwxrwxrwx | 36 | cif_mark_disorder_011.inp → ../inputs/9000087-no-occupancies.cif |
|
l | rwxrwxrwx | 36 | cif_mark_disorder_012.inp → ../inputs/9000087-no-occupancies.cif |
|
- | rw-r--r-- | 21 | cif_mark_disorder_012.opt |
|
l | rwxrwxrwx | 47 | cif_mark_disorder_013.inp → ../inputs/9011732-incorrect-disorder-markup.cif |
|
l | rwxrwxrwx | 21 | cif_mark_disorder_014.inp → ../inputs/9000025.cif |
|
- | rw-r--r-- | 30 | cif_mark_disorder_014.opt |
|
l | rwxrwxrwx | 34 | cif_mark_disorder_015.inp → ../inputs/9000025-fake-comment.cif |
|
l | rwxrwxrwx | 36 | cif_mark_disorder_016.inp → ../inputs/funny-disorder-markups.cif |
|
l | rwxrwxrwx | 21 | cif_mark_disorder_017.inp → ../inputs/9014915.cif |
|
l | rwxrwxrwx | 21 | cif_mark_disorder_018.inp → ../inputs/2104374.cif |
|
l | rwxrwxrwx | 21 | cif_mark_disorder_019.inp → ../inputs/6000026.cif |
|
l | rwxrwxrwx | 21 | cif_mark_disorder_020.inp → ../inputs/1010970.cif |
|
l | rwxrwxrwx | 21 | cif_mark_disorder_021.inp → ../inputs/1001614.cif |
|
l | rwxrwxrwx | 21 | cif_mark_disorder_022.inp → ../inputs/9006030.cif |
|
- | rw-r--r-- | 52 | cif_merge_001.opt |
|
- | rw-r--r-- | 52 | cif_merge_002.opt |
|
- | rw-r--r-- | 66 | cif_merge_003.opt |
|
- | rw-r--r-- | 79 | cif_merge_004.opt |
|
- | rw-r--r-- | 76 | cif_merge_005.opt |
|
- | rw-r--r-- | 52 | cif_merge_006.opt |
|
- | rw-r--r-- | 197 | cif_merge_006.tst |
|
- | rw-r--r-- | 67 | cif_merge_007.opt |
|
l | rwxrwxrwx | 29 | cif_molecule_001.inp → ../inputs/2100348-benzene.cif |
|
- | rw-r--r-- | 28 | cif_molecule_001.opt |
|
l | rwxrwxrwx | 30 | cif_molecule_002.inp → ../inputs/2205053-molecule.cif |
|
- | rw-r--r-- | 28 | cif_molecule_002.opt |
|
l | rwxrwxrwx | 30 | cif_molecule_003.inp → ../inputs/2000080-molecule.cif |
|
- | rw-r--r-- | 75 | cif_molecule_003.opt |
|
l | rwxrwxrwx | 31 | cif_molecule_004.inp → ../inputs/1000002-test-hall.cif |
|
- | rw-r--r-- | 101 | cif_molecule_004.opt |
|
- | rw-r--r-- | 62 | cif_molecule_004.tst |
|
l | rwxrwxrwx | 29 | cif_molecule_005.inp → ../inputs/1000002-test-hm.cif |
|
- | rw-r--r-- | 101 | cif_molecule_005.opt |
|
- | rw-r--r-- | 75 | cif_molecule_005.tst |
|
l | rwxrwxrwx | 32 | cif_molecule_006.inp → ../inputs/1000002-test-symop.cif |
|
- | rw-r--r-- | 28 | cif_molecule_006.opt |
|
- | rw-r--r-- | 114 | cif_molecule_006.tst |
|
l | rwxrwxrwx | 30 | cif_molecule_007.inp → ../inputs/1000002-test-hm2.cif |
|
- | rw-r--r-- | 101 | cif_molecule_007.opt |
|
- | rw-r--r-- | 78 | cif_molecule_007.tst |
|
l | rwxrwxrwx | 30 | cif_molecule_008.inp → ../inputs/7000165-disorder.cif |
|
- | rw-r--r-- | 88 | cif_molecule_008.opt |
|
l | rwxrwxrwx | 30 | cif_molecule_009.inp → ../inputs/1004001-disorder.cif |
|
- | rw-r--r-- | 50 | cif_molecule_009.opt |
|
- | rw-r--r-- | 324 | cif_molecule_009.tst |
|
l | rwxrwxrwx | 34 | cif_molecule_010.inp → ../inputs/1011060-graphite-err.cif |
|
- | rw-r--r-- | 28 | cif_molecule_010.opt |
|
- | rw-r--r-- | 131 | cif_molecule_010.tst |
|
l | rwxrwxrwx | 41 | cif_molecule_011.inp → ../inputs/1011060-graphite-atom-label.cif |
|
- | rw-r--r-- | 28 | cif_molecule_011.opt |
|
l | rwxrwxrwx | 47 | cif_molecule_012.inp → ../inputs/1011060-graphite-atom-type-symbol.cif |
|
- | rw-r--r-- | 28 | cif_molecule_012.opt |
|
- | rw-r--r-- | 98 | cif_molecule_012.tst |
|
l | rwxrwxrwx | 21 | cif_molecule_013.inp → ../inputs/2000724.cif |
|
- | rw-r--r-- | 28 | cif_molecule_013.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_014.inp → ../inputs/2202108.cif |
|
- | rw-r--r-- | 28 | cif_molecule_014.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_015.inp → ../inputs/2217757.cif |
|
- | rw-r--r-- | 28 | cif_molecule_015.opt |
|
l | rwxrwxrwx | 30 | cif_molecule_016.inp → ../inputs/1004001-disorder.cif |
|
- | rw-r--r-- | 45 | cif_molecule_016.opt |
|
- | rw-r--r-- | 377 | cif_molecule_016.tst |
|
l | rwxrwxrwx | 39 | cif_molecule_017.inp → ../inputs/1000002-unknown-atom-type.cif |
|
- | rw-r--r-- | 60 | cif_molecule_017.opt |
|
- | rw-r--r-- | 93 | cif_molecule_017.tst |
|
l | rwxrwxrwx | 29 | cif_molecule_018.inp → ../inputs/2100348-benzene.cif |
|
- | rw-r--r-- | 11 | cif_molecule_018.opt |
|
l | rwxrwxrwx | 26 | cif_molecule_019.inp → ../inputs/8100877-bump.cif |
|
l | rwxrwxrwx | 26 | cif_molecule_020.inp → ../inputs/8100877-bump.cif |
|
- | rw-r--r-- | 22 | cif_molecule_020.opt |
|
l | rwxrwxrwx | 38 | cif_molecule_021.inp → ../inputs/2208311-zero-occupancies.cif |
|
- | rw-r--r-- | 11 | cif_molecule_021.opt |
|
l | rwxrwxrwx | 38 | cif_molecule_022.inp → ../inputs/2208311-zero-occupancies.cif |
|
- | rw-r--r-- | 43 | cif_molecule_022.opt |
|
l | rwxrwxrwx | 26 | cif_molecule_023.inp → ../inputs/8100877-bump.cif |
|
- | rw-r--r-- | 36 | cif_molecule_023.opt |
|
l | rwxrwxrwx | 30 | cif_molecule_024.inp → ../inputs/7000165-disorder.cif |
|
- | rw-r--r-- | 75 | cif_molecule_024.opt |
|
l | rwxrwxrwx | 41 | cif_molecule_025.inp → ../inputs/1011060-graphite-atom-label.cif |
|
- | rw-r--r-- | 60 | cif_molecule_025.opt |
|
l | rwxrwxrwx | 30 | cif_molecule_026.inp → ../inputs/7000165-disorder.cif |
|
- | rw-r--r-- | 95 | cif_molecule_026.opt |
|
l | rwxrwxrwx | 31 | cif_molecule_027.inp → ../inputs/1000002-test-hall.cif |
|
- | rw-r--r-- | 154 | cif_molecule_027.tst |
|
l | rwxrwxrwx | 21 | cif_molecule_028.inp → ../inputs/2014244.cif |
|
- | rw-r--r-- | 11 | cif_molecule_028.opt |
|
l | rwxrwxrwx | 47 | cif_molecule_029.inp → ../inputs/2100831-incomplete-unit-cell-info.cif |
|
- | rw-r--r-- | 24 | cif_molecule_029.opt |
|
l | rwxrwxrwx | 49 | cif_molecule_030.inp → ../inputs/2002857-cif_molecule-deep-recursion.cif |
|
- | rw-r--r-- | 54 | cif_molecule_030.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_031.inp → ../inputs/8000003.cif |
|
- | rw-r--r-- | 24 | cif_molecule_031.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_032.inp → ../inputs/8000003.cif |
|
- | rw-r--r-- | 81 | cif_molecule_032.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_033.inp → ../inputs/1000035.cif |
|
- | rw-r--r-- | 74 | cif_molecule_033.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_034.inp → ../inputs/1000035.cif |
|
- | rw-r--r-- | 124 | cif_molecule_034.opt |
|
l | rwxrwxrwx | 45 | cif_molecule_035.inp → ../inputs/2000728-atom-type-questionmarks.cif |
|
- | rw-r--r-- | 11 | cif_molecule_035.opt |
|
l | rwxrwxrwx | 43 | cif_molecule_036.inp → ../inputs/2005372-atom-name-with-spaces.cif |
|
- | rw-r--r-- | 36 | cif_molecule_036.opt |
|
- | rw-r--r-- | 56 | cif_molecule_036.tst |
|
l | rwxrwxrwx | 41 | cif_molecule_037.inp → ../inputs/4024913-with-new-symop-tags.cif |
|
- | rw-r--r-- | 36 | cif_molecule_037.opt |
|
l | rwxrwxrwx | 37 | cif_molecule_038.inp → ../inputs/2300214-new-sg-name-H-M.cif |
|
- | rw-r--r-- | 11 | cif_molecule_038.opt |
|
l | rwxrwxrwx | 38 | cif_molecule_039.inp → ../inputs/2300214-new-sg-name-Hall.cif |
|
- | rw-r--r-- | 11 | cif_molecule_039.opt |
|
l | rwxrwxrwx | 29 | cif_molecule_040.inp → ../inputs/many_duplicates.cif |
|
- | rw-r--r-- | 11 | cif_molecule_040.opt |
|
- | rw-r--r-- | 193 | cif_molecule_040.tst |
|
l | rwxrwxrwx | 30 | cif_molecule_041.inp → ../inputs/1011060-graphite.cif |
|
- | rw-r--r-- | 13 | cif_molecule_041.opt |
|
l | rwxrwxrwx | 29 | cif_molecule_042.inp → ../inputs/9008564-diamond.cif |
|
l | rwxrwxrwx | 29 | cif_molecule_043.inp → ../inputs/9008564-diamond.cif |
|
- | rw-r--r-- | 45 | cif_molecule_043.opt |
|
l | rwxrwxrwx | 29 | cif_molecule_044.inp → ../inputs/2100348-benzene.cif |
|
- | rw-r--r-- | 46 | cif_molecule_044.opt |
|
l | rwxrwxrwx | 30 | cif_molecule_045.inp → ../inputs/1011060-graphite.cif |
|
- | rw-r--r-- | 31 | cif_molecule_045.opt |
|
l | rwxrwxrwx | 43 | cif_molecule_046.inp → ../inputs/2105019-symmetry-and-disorder.cif |
|
- | rw-r--r-- | 40 | cif_molecule_046.opt |
|
l | rwxrwxrwx | 43 | cif_molecule_047.inp → ../inputs/2105019-symmetry-and-disorder.cif |
|
- | rw-r--r-- | 36 | cif_molecule_047.opt |
|
l | rwxrwxrwx | 43 | cif_molecule_048.inp → ../inputs/2105019-symmetry-and-disorder.cif |
|
- | rw-r--r-- | 63 | cif_molecule_048.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_049.inp → ../inputs/8103382.cif |
|
- | rw-r--r-- | 23 | cif_molecule_049.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_050.inp → ../inputs/9009872.cif |
|
- | rw-r--r-- | 23 | cif_molecule_050.opt |
|
l | rwxrwxrwx | 30 | cif_molecule_051.inp → ../inputs/1004001-disorder.cif |
|
- | rw-r--r-- | 27 | cif_molecule_051.opt |
|
- | rw-r--r-- | 326 | cif_molecule_051.tst |
|
l | rwxrwxrwx | 21 | cif_molecule_052.inp → ../inputs/2231955.cif |
|
- | rw-r--r-- | 48 | cif_molecule_052.opt |
|
l | rwxrwxrwx | 43 | cif_molecule_053.inp → ../inputs/2105019-symmetry-and-disorder.cif |
|
- | rw-r--r-- | 121 | cif_molecule_053.opt |
|
l | rwxrwxrwx | 43 | cif_molecule_054.inp → ../inputs/2105019-symmetry-and-disorder.cif |
|
- | rw-r--r-- | 49 | cif_molecule_054.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_055.inp → ../inputs/2009901.cif |
|
- | rw-r--r-- | 28 | cif_molecule_055.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_056.inp → ../inputs/2238212.cif |
|
- | rw-r--r-- | 31 | cif_molecule_056.opt |
|
l | rwxrwxrwx | 36 | cif_molecule_057.inp → ../inputs/1000000-modified-enums.cif |
|
- | rw-r--r-- | 3 | cif_molecule_057.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_058.inp → ../inputs/2231955.cif |
|
- | rw-r--r-- | 26 | cif_molecule_058.opt |
|
l | rwxrwxrwx | 43 | cif_molecule_059.inp → ../inputs/2105019-symmetry-and-disorder.cif |
|
- | rw-r--r-- | 30 | cif_molecule_059.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_060.inp → ../inputs/1502949.cif |
|
- | rw-r--r-- | 26 | cif_molecule_060.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_061.inp → ../inputs/2231955.cif |
|
- | rw-r--r-- | 48 | cif_molecule_061.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_062.inp → ../inputs/1502949.cif |
|
- | rw-r--r-- | 45 | cif_molecule_062.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_063.inp → ../inputs/2007008.cif |
|
- | rw-r--r-- | 56 | cif_molecule_063.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_064.inp → ../inputs/2007008.cif |
|
- | rw-r--r-- | 49 | cif_molecule_064.opt |
|
- | rw-r--r-- | 24 | cif_molecule_065.opt |
|
- | rw-r--r-- | 27 | cif_molecule_066.opt |
|
- | rw-r--r-- | 31 | cif_molecule_067.opt |
|
- | rw-r--r-- | 34 | cif_molecule_068.opt |
|
- | rw-r--r-- | 127 | cif_molecule_069.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_070.inp → ../inputs/2019572.cif |
|
- | rw-r--r-- | 16 | cif_molecule_070.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_071.inp → ../inputs/2019572.cif |
|
- | rw-r--r-- | 22 | cif_molecule_071.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_072.inp → ../inputs/1000039.cif |
|
- | rw-r--r-- | 14 | cif_molecule_072.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_073.inp → ../inputs/1000039.cif |
|
- | rw-r--r-- | 76 | cif_molecule_073.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_074.inp → ../inputs/1000035.cif |
|
- | rw-r--r-- | 64 | cif_molecule_074.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_075.inp → ../inputs/1000049.cif |
|
- | rw-r--r-- | 8 | cif_molecule_075.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_076.inp → ../inputs/1008449.cif |
|
- | rw-r--r-- | 41 | cif_molecule_076.opt |
|
l | rwxrwxrwx | 47 | cif_molecule_077.inp → ../inputs/7202757-many-identical-atom-names.cif |
|
- | rw-r--r-- | 246 | cif_molecule_077.tst |
|
l | rwxrwxrwx | 21 | cif_molecule_078.inp → ../inputs/7006802.cif |
|
- | rw-r--r-- | 35 | cif_molecule_078.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_079.inp → ../inputs/7006802.cif |
|
- | rw-r--r-- | 29 | cif_molecule_079.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_080.inp → ../inputs/1010246.cif |
|
- | rw-r--r-- | 22 | cif_molecule_080.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_081.inp → ../inputs/1010246.cif |
|
- | rw-r--r-- | 28 | cif_molecule_081.opt |
|
l | rwxrwxrwx | 36 | cif_molecule_082.inp → ../inputs/1000105-no-site-symops.cif |
|
- | rw-r--r-- | 45 | cif_molecule_082.opt |
|
- | rw-r--r-- | 221 | cif_molecule_082.tst |
|
l | rwxrwxrwx | 21 | cif_molecule_083.inp → ../inputs/1200017.cif |
|
- | rw-r--r-- | 21 | cif_molecule_083.opt |
|
- | rw-r--r-- | 224 | cif_molecule_083.tst |
|
l | rwxrwxrwx | 21 | cif_molecule_084.inp → ../inputs/1100772.cif |
|
- | rw-r--r-- | 37 | cif_molecule_084.opt |
|
- | rw-r--r-- | 287 | cif_molecule_084.tst |
|
l | rwxrwxrwx | 21 | cif_molecule_085.inp → ../inputs/1100015.cif |
|
- | rw-r--r-- | 27 | cif_molecule_085.opt |
|
- | rw-r--r-- | 46 | cif_molecule_085.tst |
|
l | rwxrwxrwx | 44 | cif_molecule_086.inp → ../inputs/2000135-dummy-atom-coordinates.cif |
|
- | rw-r--r-- | 62 | cif_molecule_086.tst |
|
l | rwxrwxrwx | 41 | cif_molecule_087.inp → ../inputs/2000127-unknown-coordinates.cif |
|
- | rw-r--r-- | 64 | cif_molecule_087.tst |
|
l | rwxrwxrwx | 37 | cif_molecule_088.inp → ../inputs/2009668-with-dummy-atom.cif |
|
- | rw-r--r-- | 53 | cif_molecule_088.opt |
|
l | rwxrwxrwx | 37 | cif_molecule_089.inp → ../inputs/2009668-with-dummy-atom.cif |
|
- | rw-r--r-- | 50 | cif_molecule_089.opt |
|
l | rwxrwxrwx | 42 | cif_molecule_090.inp → ../inputs/2222274-uneven-size-disorder.cif |
|
- | rw-r--r-- | 48 | cif_molecule_090.opt |
|
- | rw-r--r-- | 170 | cif_molecule_090.tst |
|
l | rwxrwxrwx | 42 | cif_molecule_091.inp → ../inputs/2222274-uneven-size-disorder.cif |
|
- | rw-r--r-- | 71 | cif_molecule_091.opt |
|
- | rw-r--r-- | 210 | cif_molecule_091.tst |
|
l | rwxrwxrwx | 37 | cif_molecule_092.inp → ../inputs/2009668-with-dummy-atom.cif |
|
- | rw-r--r-- | 50 | cif_molecule_092.opt |
|
- | rw-r--r-- | 137 | cif_molecule_092.tst |
|
l | rwxrwxrwx | 43 | cif_molecule_093.inp → ../inputs/2001520-disorder-no-occupancy.cif |
|
- | rw-r--r-- | 324 | cif_molecule_093.tst |
|
l | rwxrwxrwx | 30 | cif_molecule_094.inp → ../inputs/7000165-disorder.cif |
|
- | rw-r--r-- | 75 | cif_molecule_094.opt |
|
l | rwxrwxrwx | 29 | cif_molecule_095.inp → ../inputs/2100348-benzene.cif |
|
- | rw-r--r-- | 3 | cif_molecule_095.opt |
|
l | rwxrwxrwx | 21 | cif_molecule_096.inp → ../inputs/7151730.cif |
|
- | rw-r--r-- | 3 | cif_molecule_096.opt |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v2_001.inp → ../inputs/1000001.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v2_002.inp → ../inputs/1000002.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v2_003.inp → ../inputs/1000003.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v2_004.inp → ../inputs/1000112.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v2_005.inp → ../inputs/1000200.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v2_006.inp → ../inputs/1000158.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v2_007.inp → ../inputs/1000051.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v2_008.inp → ../inputs/1000066.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v2_009.inp → ../inputs/1000289.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v3_001.inp → ../inputs/1000001.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v3_002.inp → ../inputs/1000002.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v3_003.inp → ../inputs/1000003.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v3_004.inp → ../inputs/1000051.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v3_005.inp → ../inputs/1000066.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v3_006.inp → ../inputs/1000112.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v3_007.inp → ../inputs/1000158.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v3_008.inp → ../inputs/1000200.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v3_009.inp → ../inputs/1000289.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v3_010.inp → ../inputs/1000293.mpod |
|
l | rwxrwxrwx | 22 | cif_mpod_v1_to_v3_011.inp → ../inputs/1000098.mpod |
|
l | rwxrwxrwx | 23 | cif_mpod_v2_to_v1_001.inp → ../inputs/1000001.mpod2 |
|
l | rwxrwxrwx | 23 | cif_mpod_v3_to_v1_001.inp → ../inputs/1000001.mpod3 |
|
l | rwxrwxrwx | 23 | cif_mpod_v3_to_v1_002.inp → ../inputs/1000082.mpod3 |
|
l | rwxrwxrwx | 23 | cif_mpod_v3_to_v1_003.inp → ../inputs/1000293.mpod3 |
|
- | rw-r--r-- | 72 | cif_overlay_001.opt |
|
- | rw-r--r-- | 76 | cif_overlay_002.opt |
|
l | rwxrwxrwx | 21 | cif_p1_001.inp → ../inputs/2019572.cif |
|
l | rwxrwxrwx | 21 | cif_p1_002.inp → ../inputs/2007008.cif |
|
- | rw-r--r-- | 3 | cif_p1_002.opt |
|
l | rwxrwxrwx | 21 | cif_p1_003.inp → ../inputs/2007008.cif |
|
- | rw-r--r-- | 14 | cif_p1_003.opt |
|
l | rwxrwxrwx | 21 | cif_p1_004.inp → ../inputs/4503694.cif |
|
- | rw-r--r-- | 16 | cif_p1_004.opt |
|
l | rwxrwxrwx | 21 | cif_p1_005.inp → ../inputs/4503694.cif |
|
- | rw-r--r-- | 14 | cif_p1_005.opt |
|
l | rwxrwxrwx | 21 | cif_p1_006.inp → ../inputs/4503694.cif |
|
- | rw-r--r-- | 33 | cif_p1_006.opt |
|
l | rwxrwxrwx | 21 | cif_p1_007.inp → ../inputs/4503694.cif |
|
- | rw-r--r-- | 11 | cif_p1_007.opt |
|
l | rwxrwxrwx | 21 | cif_p1_008.inp → ../inputs/1000035.cif |
|
- | rw-r--r-- | 21 | cif_p1_008.opt |
|
l | rwxrwxrwx | 47 | cif_p1_009.inp → ../inputs/7202757-many-identical-atom-names.cif |
|
l | rwxrwxrwx | 21 | cif_printout_001.inp → ../inputs/1000000.cif |
|
l | rwxrwxrwx | 36 | cif_printout_002.inp → ../inputs/test-biblio-stray-vals.cif |
|
l | rwxrwxrwx | 42 | cif_printout_003.inp → ../inputs/7050234-non-ascii-text-field.cif |
|
- | rw-r--r-- | 42 | cif_printout_004.inp |
|
- | rw-r--r-- | 7 | cif_printout_004.opt |
|
- | rw-r--r-- | 3 | cif_printout_005.inp |
|
- | rw-r--r-- | 7 | cif_printout_005.opt |
|
l | rwxrwxrwx | 39 | cif_printout_006.inp → ../inputs/unfolding-trailing-spaces.cif |
|
- | rw-r--r-- | 15 | cif_printout_006.opt |
|
l | rwxrwxrwx | 39 | cif_printout_007.inp → ../inputs/unfolding-trailing-spaces.cif |
|
- | rw-r--r-- | 18 | cif_printout_007.opt |
|
l | rwxrwxrwx | 38 | cif_printout_008.inp → ../inputs/Hall2006-transformed-CIF.cif |
|
- | rw-r--r-- | 15 | cif_printout_008.opt |
|
l | rwxrwxrwx | 38 | cif_printout_009.inp → ../inputs/Hall2006-transformed-CIF.cif |
|
- | rw-r--r-- | 18 | cif_printout_009.opt |
|
l | rwxrwxrwx | 26 | cif_printout_010.inp → ../inputs/DDLm_3.11.09.dic |
|
l | rwxrwxrwx | 27 | cif_printout_011.inp → ../inputs/CIF2-features.cif |
|
l | rwxrwxrwx | 32 | cif_printout_012.inp → ../inputs/looped_correct_tag.cif |
|
- | rw-r--r-- | 11 | cif_printout_012.opt |
|
l | rwxrwxrwx | 30 | cif_reduce_Niggli_001.inp → ../inputs/cubic_as_slanted.cif |
|
l | rwxrwxrwx | 21 | cif_reduce_Niggli_002.inp → ../inputs/4001780.cif |
|
l | rwxrwxrwx | 21 | cif_reduce_Niggli_003.inp → ../inputs/1010879.cif |
|
l | rwxrwxrwx | 29 | cif_reduce_Niggli_004.inp → ../inputs/4105680-slanted.cif |
|
l | rwxrwxrwx | 21 | cif_reduce_Niggli_005.inp → ../inputs/9000079.cif |
|
l | rwxrwxrwx | 21 | cif_reduce_Niggli_006.inp → ../inputs/4001780.cif |
|
- | rw-r--r-- | 17 | cif_reduce_Niggli_006.opt |
|
l | rwxrwxrwx | 30 | cif_reduce_cell_001.inp → ../inputs/cubic_as_slanted.cif |
|
l | rwxrwxrwx | 17 | cif_reduce_cell_002.inp → ../inputs/Si2.cif |
|
l | rwxrwxrwx | 26 | cif_reduce_cell_003.inp → ../inputs/Ac-OQMD-1514.cif |
|
- | rw-r--r-- | 41 | cif_reduce_cell_003.opt |
|
l | rwxrwxrwx | 19 | cif_reformat_AMCSD_author_names_001.inp → ../inputs/08755.cif |
|
l | rwxrwxrwx | 19 | cif_reformat_AMCSD_author_names_002.inp → ../inputs/11678.cif |
|
- | rw-r--r-- | 25 | cif_reformat_AMCSD_author_names_003.opt |
|
l | rwxrwxrwx | 19 | cif_reformat_AMCSD_author_names_004.inp → ../inputs/12801.cif |
|
l | rwxrwxrwx | 19 | cif_reformat_AMCSD_author_names_005.inp → ../inputs/04530.cif |
|
l | rwxrwxrwx | 21 | cif_reformat_AMCSD_author_names_006.inp → ../inputs/9010373.cif |
|
l | rwxrwxrwx | 19 | cif_reformat_AMCSD_author_names_007.inp → ../inputs/10010.cif |
|
l | rwxrwxrwx | 19 | cif_reformat_AMCSD_author_names_008.inp → ../inputs/08755.cif |
|
- | rw-r--r-- | 17 | cif_reformat_AMCSD_author_names_008.opt |
|
l | rwxrwxrwx | 31 | cif_reformat_pubmed_author_names_001.inp → ../inputs/pubmed_like_names.cif |
|
l | rwxrwxrwx | 21 | cif_reformat_uppercase_author_names_001.inp → ../inputs/1010879.cif |
|
l | rwxrwxrwx | 21 | cif_reformat_uppercase_author_names_002.inp → ../inputs/2014129.cif |
|
l | rwxrwxrwx | 21 | cif_reformat_uppercase_author_names_003.inp → ../inputs/2008520.cif |
|
l | rwxrwxrwx | 21 | cif_reformat_uppercase_author_names_004.inp → ../inputs/2010793.cif |
|
l | rwxrwxrwx | 21 | cif_select_001.inp → ../inputs/8000008.cif |
|
- | rw-r--r-- | 93 | cif_select_001.opt |
|
l | rwxrwxrwx | 21 | cif_select_002.inp → ../inputs/8000008.cif |
|
- | rw-r--r-- | 120 | cif_select_002.opt |
|
l | rwxrwxrwx | 21 | cif_select_003.inp → ../inputs/2000334.cif |
|
- | rw-r--r-- | 29 | cif_select_003.opt |
|
l | rwxrwxrwx | 21 | cif_select_004.inp → ../inputs/8000008.cif |
|
- | rw-r--r-- | 110 | cif_select_004.opt |
|
l | rwxrwxrwx | 21 | cif_select_005.inp → ../inputs/8000008.cif |
|
- | rw-r--r-- | 137 | cif_select_005.opt |
|
l | rwxrwxrwx | 21 | cif_select_006.inp → ../inputs/2000334.cif |
|
- | rw-r--r-- | 46 | cif_select_006.opt |
|
l | rwxrwxrwx | 43 | cif_select_007.inp → ../inputs/4024741-temperature-precision.cif |
|
- | rw-r--r-- | 1,045 | cif_select_007.opt |
|
l | rwxrwxrwx | 43 | cif_select_008.inp → ../inputs/4024741-temperature-precision.cif |
|
- | rw-r--r-- | 1,062 | cif_select_008.opt |
|
l | rwxrwxrwx | 21 | cif_select_009.inp → ../inputs/8000008.cif |
|
- | rw-r--r-- | 102 | cif_select_009.opt |
|
- | rw-r--r-- | 18 | cif_select_010.opt |
|
l | rwxrwxrwx | 46 | cif_select_011.inp → ../inputs/cif_distances-disorder-group-dot.cif |
|
- | rw-r--r-- | 66 | cif_select_011.opt |
|
- | rw-r--r-- | 101 | cif_select_011.tst |
|
l | rwxrwxrwx | 35 | cif_select_012.inp → ../inputs/dot-and-underscore-IT.cif |
|
- | rw-r--r-- | 81 | cif_select_012.opt |
|
l | rwxrwxrwx | 38 | cif_set_value_001.inp → ../inputs/2208311-zero-occupancies.cif |
|
l | rwxrwxrwx | 38 | cif_set_value_002.inp → ../inputs/2208311-zero-occupancies.cif |
|
- | rw-r--r-- | 12 | cif_set_value_002.opt |
|
l | rwxrwxrwx | 38 | cif_set_value_003.inp → ../inputs/2208311-zero-occupancies.cif |
|
- | rw-r--r-- | 38 | cif_set_value_003.opt |
|
l | rwxrwxrwx | 21 | cif_sort_atoms_001.inp → ../inputs/1000000.cif |
|
l | rwxrwxrwx | 21 | cif_sort_atoms_002.inp → ../inputs/1000000.cif |
|
- | rw-r--r-- | 10 | cif_sort_atoms_002.opt |
|
l | rwxrwxrwx | 21 | cif_sort_atoms_003.inp → ../inputs/1000000.cif |
|
- | rw-r--r-- | 12 | cif_sort_atoms_003.opt |
|
l | rwxrwxrwx | 37 | cif_split_001.inp → ../inputs/Burford_2000_p152_crude.cif |
|
- | rw-r--r-- | 18 | cif_split_001.opt |
|
l | rwxrwxrwx | 37 | cif_split_002.inp → ../inputs/Burford_2000_p152_crude.cif |
|
- | rw-r--r-- | 60 | cif_split_002.opt |
|
l | rwxrwxrwx | 33 | cif_split_003.inp → ../inputs/various-CIF2-values.cif |
|
- | rw-r--r-- | 60 | cif_split_003.opt |
|
l | rwxrwxrwx | 37 | cif_split_004.inp → ../inputs/Burford_2000_p152_crude.cif |
|
- | rw-r--r-- | 51 | cif_split_004.opt |
|
l | rwxrwxrwx | 26 | cif_split_005.inp → ../inputs/CIF2-Unicode.cif |
|
- | rw-r--r-- | 11 | cif_split_005.opt |
|
l | rwxrwxrwx | 22 | cif_tags_in_list_001.inp → ../inputs/cif_core.dic |
|
- | rw-r--r-- | 134 | cif_tags_in_list_001.tst |
|
l | rwxrwxrwx | 26 | cif_tcod_tree_001.inp → ../inputs/tcod-crafted.cif |
|
- | rw-r--r-- | 10 | cif_tcod_tree_001.opt |
|
l | rwxrwxrwx | 26 | cif_tcod_tree_002.inp → ../inputs/tcod-crafted.cif |
|
- | rw-r--r-- | 17 | cif_tcod_tree_002.opt |
|
l | rwxrwxrwx | 36 | cif_tcod_tree_003.inp → ../inputs/aiida_exported_gzipped.cif |
|
- | rw-r--r-- | 17 | cif_tcod_tree_003.opt |
|
l | rwxrwxrwx | 36 | cif_tcod_tree_004.inp → ../inputs/aiida_exported_gzipped.cif |
|
- | rw-r--r-- | 30 | cif_tcod_tree_004.opt |
|
l | rwxrwxrwx | 21 | cif_validate_001.inp → ../inputs/2103700.cif |
|
- | rw-r--r-- | 59 | cif_validate_001.opt |
|
l | rwxrwxrwx | 21 | cif_validate_002.inp → ../inputs/1000000.cif |
|
- | rw-r--r-- | 41 | cif_validate_002.opt |
|
l | rwxrwxrwx | 36 | cif_validate_003.inp → ../inputs/at2246_tag_not_in_dict.cif |
|
- | rw-r--r-- | 41 | cif_validate_003.opt |
|
l | rwxrwxrwx | 41 | cif_validate_004.inp → ../inputs/at2246_tag_not_in_dict_errs.cif |
|
- | rw-r--r-- | 41 | cif_validate_004.opt |
|
l | rwxrwxrwx | 41 | cif_validate_005.inp → ../inputs/at2246_tag_not_in_dict_errs.cif |
|
- | rw-r--r-- | 41 | cif_validate_005.opt |
|
l | rwxrwxrwx | 36 | cif_validate_006.inp → ../inputs/2103700_loop_mandatory.cif |
|
- | rw-r--r-- | 59 | cif_validate_006.opt |
|
l | rwxrwxrwx | 21 | cif_validate_007.inp → ../inputs/8000008.cif |
|
- | rw-r--r-- | 41 | cif_validate_007.opt |
|
l | rwxrwxrwx | 42 | cif_validate_008.inp → ../inputs/8000008_invalid_loop_related.cif |
|
- | rw-r--r-- | 41 | cif_validate_008.opt |
|
l | rwxrwxrwx | 48 | cif_validate_009.inp → ../inputs/1100854_tag_mandatory_in_reference.cif |
|
- | rw-r--r-- | 41 | cif_validate_009.opt |
|
l | rwxrwxrwx | 21 | cif_validate_010.inp → ../inputs/1000000.cif |
|
- | rw-r--r-- | 55 | cif_validate_010.opt |
|
l | rwxrwxrwx | 40 | cif_validate_011.inp → ../inputs/1101113-no-atom-site-label.cif |
|
- | rw-r--r-- | 55 | cif_validate_011.opt |
|
l | rwxrwxrwx | 46 | cif_validate_012.inp → ../inputs/1101133-wrong-number-of-elements.cif |
|
- | rw-r--r-- | 41 | cif_validate_012.opt |
|
l | rwxrwxrwx | 21 | cif_validate_013.inp → ../inputs/7000063.cif |
|
- | rw-r--r-- | 55 | cif_validate_013.opt |
|
l | rwxrwxrwx | 21 | cif_validate_014.inp → ../inputs/2103700.cif |
|
- | rw-r--r-- | 41 | cif_validate_014.opt |
|
l | rwxrwxrwx | 21 | cif_validate_015.inp → ../inputs/2103700.cif |
|
- | rw-r--r-- | 61 | cif_validate_015.opt |
|
l | rwxrwxrwx | 36 | cif_validate_016.inp → ../inputs/at2246_tag_not_in_dict.cif |
|
- | rw-r--r-- | 79 | cif_validate_016.opt |
|
l | rwxrwxrwx | 21 | cif_validate_017.inp → ../inputs/1000000.cif |
|
- | rw-r--r-- | 55 | cif_validate_017.opt |
|
l | rwxrwxrwx | 21 | cif_validate_018.inp → ../inputs/2103700.cif |
|
- | rw-r--r-- | 61 | cif_validate_018.opt |
|
l | rwxrwxrwx | 55 | cif_validate_019.inp → ../inputs/2201319-numeric_field_w_non-numeric-value.cif |
|
- | rw-r--r-- | 55 | cif_validate_019.opt |
|
l | rwxrwxrwx | 36 | cif_validate_020.inp → ../inputs/2010442-Uiso-value-bug.cif |
|
- | rw-r--r-- | 41 | cif_validate_020.opt |
|
l | rwxrwxrwx | 37 | cif_validate_021.inp → ../inputs/2103187-misaligned-loop.cif |
|
- | rw-r--r-- | 41 | cif_validate_021.opt |
|
l | rwxrwxrwx | 21 | cif_validate_022.inp → ../inputs/2224874.cif |
|
- | rw-r--r-- | 41 | cif_validate_022.opt |
|
l | rwxrwxrwx | 21 | cif_validate_023.inp → ../inputs/5000332.cif |
|
- | rw-r--r-- | 66 | cif_validate_023.opt |
|
- | rw-r--r-- | 143 | cif_validate_024.opt |
|
l | rwxrwxrwx | 46 | cif_validate_025.inp → ../inputs/4302333-Ortho-and-missing-braces.cif |
|
- | rw-r--r-- | 61 | cif_validate_025.opt |
|
l | rwxrwxrwx | 46 | cif_validate_026.inp → ../inputs/4302333-Ortho-and-missing-braces.cif |
|
- | rw-r--r-- | 75 | cif_validate_026.opt |
|
l | rwxrwxrwx | 46 | cif_validate_027.inp → ../inputs/4302333-Ortho-and-missing-braces.cif |
|
- | rw-r--r-- | 70 | cif_validate_027.opt |
|
l | rwxrwxrwx | 29 | cif_validate_028.inp → ../inputs/list-only-items.cif |
|
- | rw-r--r-- | 41 | cif_validate_028.opt |
|
l | rwxrwxrwx | 37 | cif_validate_029.inp → ../inputs/4308312-audit-dict-name.cif |
|
- | rw-r--r-- | 41 | cif_validate_029.opt |
|
l | rwxrwxrwx | 21 | cif_validate_030.inp → ../inputs/2005206.cif |
|
- | rw-r--r-- | 41 | cif_validate_030.opt |
|
l | rwxrwxrwx | 21 | cif_validate_031.inp → ../inputs/2010014.cif |
|
- | rw-r--r-- | 74 | cif_validate_031.opt |
|
- | rw-r--r-- | 80 | cif_validate_031.tst |
|
l | rwxrwxrwx | 21 | cif_validate_032.inp → ../inputs/4122001.cif |
|
- | rw-r--r-- | 172 | cif_validate_032.opt |
|
- | rw-r--r-- | 57 | cif_validate_032.tst |
|
l | rwxrwxrwx | 36 | cif_validate_033.inp → ../inputs/standard_uncertainties.cif |
|
- | rw-r--r-- | 41 | cif_validate_033.opt |
|
- | rw-r--r-- | 81 | cif_validate_033.tst |
|
l | rwxrwxrwx | 31 | cif_validate_034.inp → ../inputs/no-geom-reference.cif |
|
- | rw-r--r-- | 41 | cif_validate_034.opt |
|
- | rw-r--r-- | 63 | cif_validate_034.tst |
|
l | rwxrwxrwx | 24 | cif_validate_035.inp → ../inputs/deprecated.cif |
|
- | rw-r--r-- | 61 | cif_validate_035.opt |
|
- | rw-r--r-- | 34 | cif_validate_035.tst |
|
l | rwxrwxrwx | 26 | cif_validate_036.inp → ../inputs/4PR4-spoiled.cif |
|
- | rw-r--r-- | 111 | cif_validate_036.opt |
|
l | rwxrwxrwx | 26 | cif_validate_037.inp → ../inputs/4PR4-spoiled.cif |
|
- | rw-r--r-- | 108 | cif_validate_037.opt |
|
l | rwxrwxrwx | 50 | cif_validate_038.inp → ../inputs/special_atom_site_type_symbol_values.cif |
|
- | rw-r--r-- | 41 | cif_validate_038.opt |
|
- | rw-r--r-- | 202 | cif_validate_038.tst |
|
l | rwxrwxrwx | 19 | cif_validate_039.inp → ../inputs/empty.cif |
|
- | rw-r--r-- | 45 | cif_validate_039.opt |
|
l | rwxrwxrwx | 38 | cif_validate_040.inp → ../inputs/double_cod_database_code.cif |
|
- | rw-r--r-- | 40 | cif_validate_040.opt |
|
l | rwxrwxrwx | 35 | cif_validate_041.inp → ../inputs/looped_cell_constants.cif |
|
- | rw-r--r-- | 41 | cif_validate_041.opt |
|
- | rw-r--r-- | 98 | cif_validate_041.tst |
|
l | rwxrwxrwx | 34 | cif_validate_042.inp → ../inputs/dummy_CIF_Core_2.4.4.cif |
|
- | rw-r--r-- | 61 | cif_validate_042.opt |
|
l | rwxrwxrwx | 21 | cif_values_001.inp → ../inputs/8000008.cif |
|
l | rwxrwxrwx | 21 | cif_values_002.inp → ../inputs/8000008.cif |
|
- | rw-r--r-- | 24 | cif_values_002.opt |
|
l | rwxrwxrwx | 21 | cif_values_003.inp → ../inputs/8000008.cif |
|
- | rw-r--r-- | 44 | cif_values_003.opt |
|
l | rwxrwxrwx | 21 | cif_values_004.inp → ../inputs/8000008.cif |
|
- | rw-r--r-- | 58 | cif_values_004.opt |
|
l | rwxrwxrwx | 21 | cif_values_005.inp → ../inputs/8000008.cif |
|
- | rw-r--r-- | 109 | cif_values_005.opt |
|
l | rwxrwxrwx | 21 | cif_values_006.inp → ../inputs/8000008.cif |
|
- | rw-r--r-- | 78 | cif_values_006.opt |
|
l | rwxrwxrwx | 21 | cif_values_007.inp → ../inputs/8000008.cif |
|
- | rw-r--r-- | 651 | cif_values_007.opt |
|
- | rw-r--r-- | 652 | cif_values_008.opt |
|
- | rw-r--r-- | 663 | cif_values_009.opt |
|
- | rw-r--r-- | 663 | cif_values_010.opt |
|
- | rw-r--r-- | 673 | cif_values_011.opt |
|
- | rw-r--r-- | 677 | cif_values_012.opt |
|
- | rw-r--r-- | 688 | cif_values_013.opt |
|
- | rw-r--r-- | 667 | cif_values_014.opt |
|
l | rwxrwxrwx | 21 | cif_values_015.inp → ../inputs/1004001.cif |
|
- | rw-r--r-- | 62 | cif_values_015.opt |
|
l | rwxrwxrwx | 21 | cif_values_016.inp → ../inputs/1004001.cif |
|
- | rw-r--r-- | 98 | cif_values_016.opt |
|
l | rwxrwxrwx | 21 | cif_values_017.inp → ../inputs/1004001.cif |
|
- | rw-r--r-- | 133 | cif_values_017.opt |
|
l | rwxrwxrwx | 37 | cif_values_018.inp → ../inputs/8000008-mixed-case-tags.cif |
|
- | rw-r--r-- | 148 | cif_values_018.opt |
|
l | rwxrwxrwx | 36 | cif_values_019.inp → ../inputs/8000008-tags-with-dots.cif |
|
- | rw-r--r-- | 105 | cif_values_019.opt |
|
l | rwxrwxrwx | 36 | cif_values_020.inp → ../inputs/8000008-tags-with-dots.cif |
|
- | rw-r--r-- | 116 | cif_values_020.opt |
|
l | rwxrwxrwx | 36 | cif_values_021.inp → ../inputs/8000008-tags-with-dots.cif |
|
- | rw-r--r-- | 137 | cif_values_021.opt |
|
l | rwxrwxrwx | 36 | cif_values_022.inp → ../inputs/8000008-tags-with-dots.cif |
|
- | rw-r--r-- | 104 | cif_values_022.opt |
|
l | rwxrwxrwx | 36 | cif_values_023.inp → ../inputs/8000008-tags-with-dots.cif |
|
- | rw-r--r-- | 47 | cif_values_023.opt |
|
l | rwxrwxrwx | 21 | cif_values_024.inp → ../inputs/8000008.cif |
|
- | rw-r--r-- | 34 | cif_values_024.opt |
|
l | rwxrwxrwx | 43 | cif_values_025.inp → ../inputs/2009397-no-data-block-heading.cif |
|
- | rw-r--r-- | 44 | cif_values_025.opt |
|
l | rwxrwxrwx | 43 | cif_values_026.inp → ../inputs/2009397-stray-values-at-start.cif |
|
- | rw-r--r-- | 44 | cif_values_026.opt |
|
- | rw-r--r-- | 74 | cod2rdf_001.opt |
|
- | rw-r--r-- | 100 | cod2rdf_002.opt |
|
- | rw-r--r-- | 108 | cod2rdf_003.opt |
|
- | rw-r--r-- | 74 | cod2rdf_004.opt |
|
- | rw-r--r-- | 82 | cod2rdf_005.opt |
|
- | rw-r--r-- | 134 | cod2rdf_006.opt |
|
- | rw-r--r-- | 108 | cod2rdf_007.opt |
|
- | rw-r--r-- | 108 | cod2rdf_008.opt |
|
- | rw-r--r-- | 108 | cod2rdf_009.opt |
|
- | rw-r--r-- | 82 | cod2rdf_010.opt |
|
- | rw-r--r-- | 108 | cod2rdf_011.opt |
|
- | rw-r--r-- | 128 | cod2rdf_012.opt |
|
- | rw-r--r-- | 115 | cod2rdf_013.opt |
|
- | rw-r--r-- | 121 | cod2rdf_014.opt |
|
- | rw-r--r-- | 113 | cod2rdf_015.opt |
|
- | rw-r--r-- | 143 | cod2rdf_016.opt |
|
- | rw-r--r-- | 148 | cod2rdf_017.opt |
|
- | rw-r--r-- | 108 | cod2rdf_018.opt |
|
- | rw-r--r-- | 86 | cod2rdf_019.opt |
|
- | rw-r--r-- | 143 | cod2rdf_020.opt |
|
- | rw-r--r-- | 149 | cod2rdf_021.opt |
|
- | rw-r--r-- | 149 | cod2rdf_022.opt |
|
- | rw-r--r-- | 93 | cod2rdf_023.opt |
|
- | rw-r--r-- | 149 | cod2rdf_024.opt |
|
- | rw-r--r-- | 154 | cod2rdf_025.opt |
|
- | rw-r--r-- | 145 | cod2rdf_026.opt |
|
- | rw-r--r-- | 85 | cod2rdf_027.opt |
|
- | rw-r--r-- | 56 | cod2rdf_027.tst |
|
l | rwxrwxrwx | 33 | cod_manage_related_001.inp → ../inputs/related_empty_entry.cif |
|
- | rw-r--r-- | 72 | cod_manage_related_001.tst |
|
l | rwxrwxrwx | 33 | cod_manage_related_002.inp → ../inputs/related_empty_entry.cif |
|
- | rw-r--r-- | 176 | cod_manage_related_002.opt |
|
- | rw-r--r-- | 177 | cod_manage_related_002.tst |
|
l | rwxrwxrwx | 43 | cod_manage_related_003.inp → ../inputs/related_fully_populated_entry.cif |
|
- | rw-r--r-- | 176 | cod_manage_related_003.opt |
|
- | rw-r--r-- | 244 | cod_manage_related_003.tst |
|
l | rwxrwxrwx | 43 | cod_manage_related_004.inp → ../inputs/related_fully_populated_entry.cif |
|
- | rw-r--r-- | 72 | cod_manage_related_004.opt |
|
- | rw-r--r-- | 293 | cod_manage_related_004.tst |
|
l | rwxrwxrwx | 47 | cod_manage_related_005.inp → ../inputs/related_partially_populated_entry.cif |
|
- | rw-r--r-- | 72 | cod_manage_related_005.opt |
|
- | rw-r--r-- | 271 | cod_manage_related_005.tst |
|
l | rwxrwxrwx | 47 | cod_manage_related_006.inp → ../inputs/related_partially_populated_entry.cif |
|
- | rw-r--r-- | 176 | cod_manage_related_006.opt |
|
- | rw-r--r-- | 320 | cod_manage_related_006.tst |
|
l | rwxrwxrwx | 41 | cod_manage_related_007.inp → ../inputs/related_unlooped_full_entry.cif |
|
- | rw-r--r-- | 176 | cod_manage_related_007.opt |
|
- | rw-r--r-- | 213 | cod_manage_related_007.tst |
|
l | rwxrwxrwx | 42 | cod_manage_related_008.inp → ../inputs/related_unlooped_no_id_entry.cif |
|
- | rw-r--r-- | 176 | cod_manage_related_008.opt |
|
- | rw-r--r-- | 205 | cod_manage_related_008.tst |
|
l | rwxrwxrwx | 46 | cod_manage_related_009.inp → ../inputs/related_looped_foreign_data_item.cif |
|
- | rw-r--r-- | 176 | cod_manage_related_009.opt |
|
- | rw-r--r-- | 119 | cod_manage_related_009.tst |
|
l | rwxrwxrwx | 40 | cod_manage_related_010.inp → ../inputs/related_looped_no_id_entry.cif |
|
- | rw-r--r-- | 176 | cod_manage_related_010.opt |
|
- | rw-r--r-- | 138 | cod_manage_related_010.tst |
|
l | rwxrwxrwx | 42 | cod_manage_related_011.inp → ../inputs/related_looped_foreign_no_id.cif |
|
- | rw-r--r-- | 176 | cod_manage_related_011.opt |
|
- | rw-r--r-- | 166 | cod_manage_related_011.tst |
|
l | rwxrwxrwx | 49 | cod_manage_related_012.inp → ../inputs/related_items_with_differing_counts.cif |
|
- | rw-r--r-- | 176 | cod_manage_related_012.opt |
|
- | rw-r--r-- | 168 | cod_manage_related_012.tst |
|
- | rw-r--r-- | 126 | cod_predeposition_check_001.opt |
|
- | rw-r--r-- | 136 | cod_predeposition_check_002.opt |
|
- | rw-r--r-- | 135 | cod_predeposition_check_003.opt |
|
- | rw-r--r-- | 104 | cod_predeposition_check_004.opt |
|
- | rw-r--r-- | 95 | cod_predeposition_check_005.opt |
|
- | rw-r--r-- | 157 | cod_predeposition_check_006.opt |
|
- | rw-r--r-- | 172 | cod_predeposition_check_007.opt |
|
- | rw-r--r-- | 212 | cod_predeposition_check_008.opt |
|
- | rw-r--r-- | 104 | cod_predeposition_check_009.opt |
|
- | rw-r--r-- | 117 | cod_predeposition_check_010.opt |
|
- | rw-r--r-- | 167 | cod_predeposition_check_011.opt |
|
- | rw-r--r-- | 127 | cod_predeposition_check_012.opt |
|
- | rw-r--r-- | 158 | cod_predeposition_check_013.opt |
|
- | rw-r--r-- | 160 | cod_predeposition_check_014.opt |
|
- | rw-r--r-- | 168 | cod_predeposition_check_015.opt |
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- | rw-r--r-- | 168 | cod_predeposition_check_016.opt |
|
- | rw-r--r-- | 145 | cod_predeposition_check_017.opt |
|
- | rw-r--r-- | 198 | cod_predeposition_check_018.opt |
|
- | rw-r--r-- | 132 | cod_predeposition_check_019.opt |
|
- | rw-r--r-- | 4,658 | cod_predeposition_check_020.opt |
|
- | rw-r--r-- | 171 | cod_predeposition_check_021.opt |
|
- | rw-r--r-- | 153 | cod_predeposition_check_022.opt |
|
- | rw-r--r-- | 141 | cod_predeposition_check_023.opt |
|
- | rw-r--r-- | 121 | cod_predeposition_check_024.opt |
|
- | rw-r--r-- | 150 | cod_predeposition_check_025.opt |
|
- | rw-r--r-- | 123 | cod_predeposition_check_026.opt |
|
- | rw-r--r-- | 187 | cod_predeposition_check_027.opt |
|
- | rw-r--r-- | 132 | cod_predeposition_check_028.opt |
|
- | rw-r--r-- | 136 | cod_predeposition_check_029.opt |
|
- | rw-r--r-- | 142 | cod_predeposition_check_030.opt |
|
- | rw-r--r-- | 150 | cod_predeposition_check_031.opt |
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- | rw-r--r-- | 140 | cod_predeposition_check_032.opt |
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l | rwxrwxrwx | 23 | cod_predeposition_check_033.chk → cif_cod_numbers_001.chk |
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- | rw-r--r-- | 45 | cod_predeposition_check_033.opt |
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- | rw-r--r-- | 212 | cod_predeposition_check_033.tst |
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l | rwxrwxrwx | 26 | dic2markdown_001.inp → ../inputs/DDLm_3.11.09.dic |
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l | rwxrwxrwx | 21 | dic2markdown_002.inp → ../inputs/escapes.dic |
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l | rwxrwxrwx | 19 | dic2markdown_003.inp → ../inputs/empty.cif |
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l | rwxrwxrwx | 22 | dic2markdown_004.inp → ../inputs/cif_core.dic |
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l | rwxrwxrwx | 22 | dic2markdown_005.inp → ../inputs/cif_core.dic |
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- | rw-r--r-- | 41 | dic2markdown_005.opt |
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l | rwxrwxrwx | 35 | msg_parse_001.inp → ../inputs/simple_error_messages.lst |
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- | rw-r--r-- | 18 | msg_parse_001.opt |
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- | rw-r--r-- | 88 | msg_parse_001.tst |
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l | rwxrwxrwx | 36 | msg_parse_002.inp → ../inputs/escaped_error_messages.lst |
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- | rw-r--r-- | 18 | msg_parse_002.opt |
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- | rw-r--r-- | 63 | msg_parse_002.tst |
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l | rwxrwxrwx | 40 | msg_parse_003.inp → ../inputs/whitespaced_error_messages.lst |
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- | rw-r--r-- | 18 | msg_parse_003.opt |
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- | rw-r--r-- | 67 | msg_parse_003.tst |
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l | rwxrwxrwx | 46 | msg_parse_004.inp → ../inputs/error_messages_with_explanations.lst |
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l | rwxrwxrwx | 42 | msg_parse_005.inp → ../inputs/error_messages_with_comments.lst |
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- | rw-r--r-- | 19 | msg_parse_005.opt |
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- | rw-r--r-- | 73 | msg_parse_005.tst |
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l | rwxrwxrwx | 38 | msg_parse_006.inp → ../inputs/multiline_error_messages.lst |
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- | rw-r--r-- | 18 | msg_parse_006.opt |
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- | rw-r--r-- | 41 | msg_parse_006.tst |
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- | rw-r--r-- | 65 | oqmd2cif_001.opt |
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- | rw-r--r-- | 66 | oqmd2cif_002.opt |
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- | rw-r--r-- | 66 | oqmd2cif_003.opt |
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- | rw-r--r-- | 59 | oqmd2cif_003.tst |
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- | rw-r--r-- | 63 | sdf_add_cod_data_001.opt |
|
- | rw-r--r-- | 67 | sdf_add_cod_data_002.opt |
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- | rw-r--r-- | 62 | sdf_add_cod_data_003.opt |
|
- | rw-r--r-- | 80 | sdf_add_cod_data_004.opt |
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- | rw-r--r-- | 80 | sdf_add_cod_data_004.tst |
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l | rwxrwxrwx | 44 | ssg3d_001.inp → ../inputs/sn5100-superspacegroup-symops2.txt |
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l | rwxrwxrwx | 44 | ssg3d_002.inp → ../inputs/2105810-superspacegroup-symops.txt |
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l | rwxrwxrwx | 44 | ssg3d_003.inp → ../inputs/2100612-superspacegroup-symops.txt |
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l | rwxrwxrwx | 44 | ssg3d_004.inp → ../inputs/2104389-superspacegroup-symops.txt |
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l | rwxrwxrwx | 44 | ssg3d_005.inp → ../inputs/7202742-superspacegroup-symops.txt |
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l | rwxrwxrwx | 44 | ssg3d_006.inp → ../inputs/4302713-superspacegroup-symops.txt |
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l | rwxrwxrwx | 44 | ssg3d_007.inp → ../inputs/4307095-superspacegroup-symops.txt |
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l | rwxrwxrwx | 44 | ssg3d_008.inp → ../inputs/4341765-superspacegroup-symops.txt |
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l | rwxrwxrwx | 44 | ssg3d_009.inp → ../inputs/4001801-superspacegroup-symops.txt |
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l | rwxrwxrwx | 43 | ssg_symop_canonical_001.inp → ../inputs/sn5100-superspacegroup-symops.txt |
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l | rwxrwxrwx | 49 | ssg_symop_canonical_002.inp → ../inputs/sn5100-superspacegroup-noncanonical.txt |
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l | rwxrwxrwx | 47 | ssg_symop_canonical_003.inp → ../inputs/COD-rev-133806-uniq-4D-ssg-symops.txt |
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l | rwxrwxrwx | 47 | ssg_symop_canonical_004.inp → ../inputs/COD-rev-133806-uniq-5D-ssg-symops.txt |
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l | rwxrwxrwx | 43 | ssg_symop_check_001.inp → ../inputs/sn5100-superspacegroup-symops.txt |
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l | rwxrwxrwx | 49 | ssg_symop_check_002.inp → ../inputs/sn5100-superspacegroup-noncanonical.txt |
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l | rwxrwxrwx | 47 | ssg_symop_check_003.inp → ../inputs/sn5100-superspacegroup-BAD-symops.txt |
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l | rwxrwxrwx | 47 | ssg_symop_check_004.inp → ../inputs/COD-rev-133806-uniq-4D-ssg-symops.txt |
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l | rwxrwxrwx | 47 | ssg_symop_check_005.inp → ../inputs/COD-rev-133806-uniq-5D-ssg-symops.txt |
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l | rwxrwxrwx | 43 | ssg_symop_matrices_001.inp → ../inputs/sn5100-superspacegroup-symops.txt |
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l | rwxrwxrwx | 47 | ssg_symop_matrices_002.inp → ../inputs/COD-rev-133806-uniq-4D-ssg-symops.txt |
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l | rwxrwxrwx | 47 | ssg_symop_matrices_003.inp → ../inputs/COD-rev-133806-uniq-5D-ssg-symops.txt |
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l | rwxrwxrwx | 45 | ssg_symop_string_001.inp → ../inputs/sn5100-superspacegroup-matrices.txt |
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l | rwxrwxrwx | 29 | symop_build_spacegroup_001.inp → ../inputs/011-unique-c.symops |
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l | rwxrwxrwx | 20 | symop_build_spacegroup_002.inp → ../inputs/051.symops |
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l | rwxrwxrwx | 29 | symop_build_spacegroup_003.inp → ../inputs/010-unique-a.symops |
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l | rwxrwxrwx | 29 | symop_build_spacegroup_004.inp → ../inputs/003-unique-a.symops |
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l | rwxrwxrwx | 29 | symop_build_spacegroup_005.inp → ../inputs/004-unique-b.symops |
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l | rwxrwxrwx | 20 | symop_build_spacegroup_006.inp → ../inputs/016.symops |
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l | rwxrwxrwx | 20 | symop_build_spacegroup_007.inp → ../inputs/230.symops |
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l | rwxrwxrwx | 19 | symop_build_spacegroup_008.inp → ../inputs/P31.symop |
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l | rwxrwxrwx | 19 | symop_build_spacegroup_009.inp → ../inputs/P32.symop |
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l | rwxrwxrwx | 19 | symop_build_spacegroup_010.inp → ../inputs/P61.symop |
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l | rwxrwxrwx | 19 | symop_build_spacegroup_011.inp → ../inputs/P62.symop |
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l | rwxrwxrwx | 19 | symop_build_spacegroup_012.inp → ../inputs/P63.symop |
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l | rwxrwxrwx | 19 | symop_build_spacegroup_013.inp → ../inputs/P64.symop |
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l | rwxrwxrwx | 19 | symop_build_spacegroup_014.inp → ../inputs/P65.symop |
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l | rwxrwxrwx | 24 | symop_build_spacegroup_015.inp → ../inputs/085-all.symops |
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l | rwxrwxrwx | 28 | symop_build_spacegroup_016.inp → ../inputs/085-first-5.symops |
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l | rwxrwxrwx | 29 | symop_build_spacegroup_017.inp → ../inputs/F222-first-5.symops |
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l | rwxrwxrwx | 29 | symop_build_spacegroup_018.inp → ../inputs/F222-first-9.symops |
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l | rwxrwxrwx | 25 | symop_build_spacegroup_019.inp → ../inputs/F222-all.symops |
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l | rwxrwxrwx | 20 | symop_build_spacegroup_020.inp → ../inputs/R3H.symops |
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l | rwxrwxrwx | 34 | utf8-to-cif_001.inp → ../inputs/2204100-authors-utf8.txt |
|
l | rwxrwxrwx | 31 | utf8-to-cif_002.inp → ../inputs/cif-degree-aring.utf8 |
|
l | rwxrwxrwx | 26 | utf8-to-cif_003.inp → ../inputs/Ruzicka-utf8.txt |
|
- | rw-r--r-- | 6 | utf8-to-cif_004.inp |