package info
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Folder: tests
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.. (parent) | |||
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- | rw-r--r-- | 4,727 | README |
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- | rwxr-xr-x | 467 | atom-lsda.in |
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- | rw-r--r-- | 11,414 | atom-lsda.ref |
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- | rwxr-xr-x | 444 | atom-pbe.in |
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- | rw-r--r-- | 10,767 | atom-pbe.ref |
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- | rwxr-xr-x | 506 | atom-sigmapbe.in |
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- | rw-r--r-- | 13,956 | atom-sigmapbe.ref |
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- | rwxr-xr-x | 405 | atom.in |
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- | rw-r--r-- | 9,096 | atom.ref |
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- | rwxr-xr-x | 730 | b3lyp-O.in |
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- | rw-r--r-- | 11,696 | b3lyp-O.ref |
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- | rw-r--r-- | 486 | b3lyp-h2o.in |
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- | rw-r--r-- | 33,551 | b3lyp-h2o.ref |
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- | rw-r--r-- | 562 | berry.in |
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- | rw-r--r-- | 645 | berry.in1 |
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- | rw-r--r-- | 645 | berry.in2 |
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- | rw-r--r-- | 14,762 | berry.ref |
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- | rw-r--r-- | 19,289 | berry.ref1 |
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- | rw-r--r-- | 19,785 | berry.ref2 |
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- | rwxr-xr-x | 10,240 | check-pw.x.j |
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- | rwxr-xr-x | 376 | cluster1.in |
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- | rw-r--r-- | 11,036 | cluster1.ref |
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- | rwxr-xr-x | 496 | cluster2.in |
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- | rw-r--r-- | 32,266 | cluster2.ref |
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- | rwxr-xr-x | 442 | cluster3.in |
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- | rw-r--r-- | 41,055 | cluster3.ref |
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- | rw-r--r-- | 490 | cluster4.in |
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- | rw-r--r-- | 12,382 | cluster4.ref |
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- | rwxr-xr-x | 349 | dft1.in |
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- | rw-r--r-- | 9,490 | dft1.ref |
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- | rwxr-xr-x | 349 | dft10.in |
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- | rw-r--r-- | 8,933 | dft10.ref |
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- | rwxr-xr-x | 352 | dft11.in |
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- | rw-r--r-- | 9,498 | dft11.ref |
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- | rwxr-xr-x | 351 | dft2.in |
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- | rw-r--r-- | 9,129 | dft2.ref |
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- | rwxr-xr-x | 352 | dft3.in |
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- | rw-r--r-- | 9,499 | dft3.ref |
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- | rwxr-xr-x | 351 | dft4.in |
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- | rw-r--r-- | 9,496 | dft4.ref |
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- | rwxr-xr-x | 352 | dft5.in |
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- | rw-r--r-- | 9,132 | dft5.ref |
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- | rwxr-xr-x | 349 | dft6.in |
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- | rw-r--r-- | 9,300 | dft6.ref |
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- | rwxr-xr-x | 349 | dft7.in |
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- | rw-r--r-- | 9,857 | dft7.ref |
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- | rwxr-xr-x | 350 | dft8.in |
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- | rw-r--r-- | 9,493 | dft8.ref |
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- | rwxr-xr-x | 347 | dft9.in |
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- | rw-r--r-- | 9,484 | dft9.ref |
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- | rw-r--r-- | 841 | dipole.in |
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- | rw-r--r-- | 20,972 | dipole.ref |
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- | rwxr-xr-x | 2,780 | electric0.in |
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- | rw-r--r-- | 28,279 | electric0.ref |
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- | rwxr-xr-x | 2,800 | electric1.in |
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- | rw-r--r-- | 26,121 | electric1.ref |
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- | rwxr-xr-x | 2,838 | electric2.in |
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- | rw-r--r-- | 30,587 | electric2.ref |
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- | rw-r--r-- | 357 | eval_infix.in |
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- | rwxr-xr-x | 388 | eval_infix.in2 |
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- | rw-r--r-- | 9,228 | eval_infix.ref |
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- | rw-r--r-- | 9,103 | eval_infix.ref2 |
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- | rwxr-xr-x | 819 | gau-pbe-si111.in |
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- | rw-r--r-- | 18,778 | gau-pbe-si111.ref |
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- | rwxr-xr-x | 819 | gau-pbe-si222.in |
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- | rw-r--r-- | 22,418 | gau-pbe-si222.ref |
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- | rwxr-xr-x | 819 | gau-pbe-si444.in |
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- | rw-r--r-- | 31,042 | gau-pbe-si444.ref |
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- | rwxr-xr-x | 829 | hse-si111.in |
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- | rw-r--r-- | 19,270 | hse-si111.ref |
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- | rwxr-xr-x | 829 | hse-si222.in |
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- | rw-r--r-- | 16,627 | hse-si222.ref |
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- | rwxr-xr-x | 829 | hse-si444.in |
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- | rw-r--r-- | 19,636 | hse-si444.ref |
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- | rw-r--r-- | 349 | lattice-ibrav-12-kauto.in |
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- | rw-r--r-- | 8,152 | lattice-ibrav-12-kauto.ref |
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- | rw-r--r-- | 332 | lattice-ibrav-12.in |
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- | rw-r--r-- | 8,077 | lattice-ibrav-12.ref |
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- | rw-r--r-- | 307 | lattice-ibrav-5-kauto.in |
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- | rw-r--r-- | 8,149 | lattice-ibrav-5-kauto.ref |
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- | rw-r--r-- | 290 | lattice-ibrav-5.in |
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- | rw-r--r-- | 8,237 | lattice-ibrav-5.ref |
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- | rw-r--r-- | 378 | lattice-ibrav0-cell_parameters%2Ba.in |
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- | rw-r--r-- | 8,093 | lattice-ibrav0-cell_parameters%2Ba.ref |
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- | rw-r--r-- | 383 | lattice-ibrav0-cell_parameters%2Bcelldm.in |
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- | rw-r--r-- | 8,098 | lattice-ibrav0-cell_parameters%2Bcelldm.ref |
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- | rw-r--r-- | 367 | lattice-ibrav0-cell_parameters-ang.in |
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- | rw-r--r-- | 8,095 | lattice-ibrav0-cell_parameters-ang.ref |
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- | rw-r--r-- | 364 | lattice-ibrav0-cell_parameters.in |
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- | rw-r--r-- | 8,091 | lattice-ibrav0-cell_parameters.ref |
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- | rw-r--r-- | 285 | lattice-ibrav1-kauto.in |
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- | rw-r--r-- | 7,998 | lattice-ibrav1-kauto.ref |
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- | rw-r--r-- | 267 | lattice-ibrav1.in |
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- | rw-r--r-- | 8,075 | lattice-ibrav1.ref |
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- | rw-r--r-- | 328 | lattice-ibrav10-kauto.in |
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- | rw-r--r-- | 10,773 | lattice-ibrav10-kauto.ref |
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- | rw-r--r-- | 311 | lattice-ibrav10.in |
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- | rw-r--r-- | 8,937 | lattice-ibrav10.ref |
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- | rw-r--r-- | 328 | lattice-ibrav11-kauto.in |
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- | rw-r--r-- | 8,455 | lattice-ibrav11-kauto.ref |
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- | rw-r--r-- | 311 | lattice-ibrav11.in |
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- | rw-r--r-- | 8,076 | lattice-ibrav11.ref |
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- | rw-r--r-- | 349 | lattice-ibrav12-kauto.in |
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- | rw-r--r-- | 8,151 | lattice-ibrav12-kauto.ref |
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- | rw-r--r-- | 332 | lattice-ibrav12.in |
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- | rw-r--r-- | 8,076 | lattice-ibrav12.ref |
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- | rw-r--r-- | 349 | lattice-ibrav13-kauto.in |
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- | rw-r--r-- | 8,303 | lattice-ibrav13-kauto.ref |
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- | rw-r--r-- | 332 | lattice-ibrav13.in |
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- | rw-r--r-- | 8,076 | lattice-ibrav13.ref |
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- | rw-r--r-- | 391 | lattice-ibrav14-kauto.in |
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- | rw-r--r-- | 8,455 | lattice-ibrav14-kauto.ref |
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- | rw-r--r-- | 374 | lattice-ibrav14.in |
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- | rw-r--r-- | 8,076 | lattice-ibrav14.ref |
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- | rw-r--r-- | 286 | lattice-ibrav2-kauto.in |
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- | rw-r--r-- | 8,044 | lattice-ibrav2-kauto.ref |
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- | rw-r--r-- | 268 | lattice-ibrav2.in |
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- | rw-r--r-- | 7,817 | lattice-ibrav2.ref |
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- | rw-r--r-- | 286 | lattice-ibrav3-kauto.in |
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- | rw-r--r-- | 8,044 | lattice-ibrav3-kauto.ref |
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- | rw-r--r-- | 268 | lattice-ibrav3.in |
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- | rw-r--r-- | 7,817 | lattice-ibrav3.ref |
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- | rw-r--r-- | 318 | lattice-ibrav4-kauto.in |
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- | rw-r--r-- | 8,150 | lattice-ibrav4-kauto.ref |
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- | rw-r--r-- | 301 | lattice-ibrav4.in |
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- | rw-r--r-- | 8,075 | lattice-ibrav4.ref |
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- | rw-r--r-- | 307 | lattice-ibrav5-kauto.in |
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- | rw-r--r-- | 8,048 | lattice-ibrav5-kauto.ref |
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- | rw-r--r-- | 290 | lattice-ibrav5.in |
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- | rw-r--r-- | 8,288 | lattice-ibrav5.ref |
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- | rw-r--r-- | 308 | lattice-ibrav6-kauto.in |
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- | rw-r--r-- | 7,998 | lattice-ibrav6-kauto.ref |
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- | rw-r--r-- | 290 | lattice-ibrav6.in |
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- | rw-r--r-- | 8,075 | lattice-ibrav6.ref |
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- | rw-r--r-- | 308 | lattice-ibrav7-kauto.in |
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- | rw-r--r-- | 8,250 | lattice-ibrav7-kauto.ref |
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- | rw-r--r-- | 290 | lattice-ibrav7.in |
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- | rw-r--r-- | 8,023 | lattice-ibrav7.ref |
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- | rw-r--r-- | 329 | lattice-ibrav8-kauto.in |
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- | rw-r--r-- | 7,998 | lattice-ibrav8-kauto.ref |
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- | rw-r--r-- | 311 | lattice-ibrav8.in |
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- | rw-r--r-- | 8,075 | lattice-ibrav8.ref |
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- | rw-r--r-- | 329 | lattice-ibrav9-kauto.in |
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- | rw-r--r-- | 8,150 | lattice-ibrav9-kauto.ref |
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- | rw-r--r-- | 311 | lattice-ibrav9.in |
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- | rw-r--r-- | 8,442 | lattice-ibrav9.ref |
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- | rwxr-xr-x | 803 | lda%2BU-noU.in |
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- | rw-r--r-- | 26,484 | lda%2BU-noU.ref |
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- | rwxr-xr-x | 883 | lda%2BU-user_ns.in |
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- | rw-r--r-- | 30,436 | lda%2BU-user_ns.ref |
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- | rwxr-xr-x | 801 | lda%2BU.in |
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- | rw-r--r-- | 32,279 | lda%2BU.ref |
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- | rwxr-xr-x | 931 | lda%2BU_force.in |
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- | rw-r--r-- | 35,566 | lda%2BU_force.ref |
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- | rwxr-xr-x | 915 | lda%2BU_gamma.in |
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- | rw-r--r-- | 36,138 | lda%2BU_gamma.ref |
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- | rwxr-xr-x | 405 | lsda-cg.in |
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- | rw-r--r-- | 15,863 | lsda-cg.ref |
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- | rwxr-xr-x | 403 | lsda-mixing_TF.in |
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- | rw-r--r-- | 15,146 | lsda-mixing_TF.ref |
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- | rwxr-xr-x | 409 | lsda-mixing_localTF.in |
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- | rw-r--r-- | 15,151 | lsda-mixing_localTF.ref |
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- | rwxr-xr-x | 400 | lsda-mixing_ndim.in |
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- | rw-r--r-- | 15,576 | lsda-mixing_ndim.ref |
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- | rwxr-xr-x | 377 | lsda-nelup%2Bneldw.in |
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- | rw-r--r-- | 14,847 | lsda-nelup%2Bneldw.ref |
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- | rwxr-xr-x | 375 | lsda-tot_magnetization.in |
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- | rw-r--r-- | 14,853 | lsda-tot_magnetization.ref |
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- | rwxr-xr-x | 420 | lsda.in |
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- | rwxr-xr-x | 392 | lsda.in2 |
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- | rw-r--r-- | 17,893 | lsda.ref |
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- | rw-r--r-- | 23,043 | lsda.ref2 |
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- | rwxr-xr-x | 407 | md-pot_extrap1.in |
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- | rw-r--r-- | 112,145 | md-pot_extrap1.ref |
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- | rwxr-xr-x | 408 | md-pot_extrap2.in |
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- | rw-r--r-- | 117,331 | md-pot_extrap2.ref |
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- | rwxr-xr-x | 407 | md-wfc_extrap1.in |
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- | rw-r--r-- | 131,698 | md-wfc_extrap1.ref |
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- | rwxr-xr-x | 408 | md-wfc_extrap2.in |
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- | rw-r--r-- | 131,379 | md-wfc_extrap2.ref |
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- | rwxr-xr-x | 371 | md.in |
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- | rw-r--r-- | 129,383 | md.ref |
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- | rwxr-xr-x | 761 | metaGGA.in |
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- | rw-r--r-- | 12,245 | metaGGA.ref |
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- | rwxr-xr-x | 715 | metal-fermi_dirac.in |
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- | rw-r--r-- | 9,628 | metal-fermi_dirac.ref |
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- | rwxr-xr-x | 721 | metal-gaussian.in |
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- | rw-r--r-- | 9,631 | metal-gaussian.ref |
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- | rwxr-xr-x | 311 | metal-tetrahedra.in |
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- | rwxr-xr-x | 290 | metal-tetrahedra.in2 |
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- | rw-r--r-- | 9,624 | metal-tetrahedra.ref |
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- | rw-r--r-- | 10,796 | metal-tetrahedra.ref2 |
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- | rwxr-xr-x | 741 | metal.in |
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- | rwxr-xr-x | 333 | metal.in2 |
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- | rw-r--r-- | 10,032 | metal.ref |
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- | rw-r--r-- | 10,814 | metal.ref2 |
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- | rwxr-xr-x | 928 | noncolin-cg.in |
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- | rw-r--r-- | 25,330 | noncolin-cg.ref |
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- | rwxr-xr-x | 1,000 | noncolin-constrain_angle.in |
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- | rw-r--r-- | 24,016 | noncolin-constrain_angle.ref |
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- | rwxr-xr-x | 957 | noncolin-constrain_atomic.in |
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- | rw-r--r-- | 41,481 | noncolin-constrain_atomic.ref |
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- | rwxr-xr-x | 632 | noncolin-constrain_total.in |
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- | rw-r--r-- | 53,837 | noncolin-constrain_total.ref |
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- | rwxr-xr-x | 942 | noncolin.in |
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- | rwxr-xr-x | 356 | noncolin.in1 |
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- | rwxr-xr-x | 397 | noncolin.in2 |
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- | rw-r--r-- | 24,998 | noncolin.ref |
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- | rw-r--r-- | 10,688 | noncolin.ref1 |
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- | rw-r--r-- | 10,717 | noncolin.ref2 |
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- | rw-r--r-- | 402 | paw-atom.in |
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- | rw-r--r-- | 8,866 | paw-atom.ref |
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- | rw-r--r-- | 363 | paw-atom_l%3D2.in |
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- | rw-r--r-- | 9,890 | paw-atom_l%3D2.ref |
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- | rw-r--r-- | 376 | paw-atom_lda.in |
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- | rw-r--r-- | 8,865 | paw-atom_lda.ref |
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- | rw-r--r-- | 402 | paw-atom_spin.in |
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- | rw-r--r-- | 10,560 | paw-atom_spin.ref |
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- | rw-r--r-- | 401 | paw-atom_spin_lda.in |
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- | rw-r--r-- | 12,160 | paw-atom_spin_lda.ref |
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- | rw-r--r-- | 378 | paw-atom_tqr.in |
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- | rw-r--r-- | 9,958 | paw-atom_tqr.ref |
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- | rw-r--r-- | 614 | paw-bfgs.in |
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- | rw-r--r-- | 13,533 | paw-bfgs.ref |
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- | rw-r--r-- | 695 | paw-vcbfgs.in |
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- | rw-r--r-- | 27,395 | paw-vcbfgs.ref |
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- | rwxr-xr-x | 830 | pbe0-si111.in |
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- | rw-r--r-- | 19,640 | pbe0-si111.ref |
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- | rwxr-xr-x | 830 | pbe0-si222.in |
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- | rw-r--r-- | 19,273 | pbe0-si222.ref |
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- | rwxr-xr-x | 830 | pbe0-si444.in |
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- | rw-r--r-- | 19,639 | pbe0-si444.ref |
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- | rw-r--r-- | 448 | pbeq2d.in |
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- | rw-r--r-- | 38,040 | pbeq2d.ref |
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- | rwxr-xr-x | 353 | relax-damped.in |
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- | rw-r--r-- | 45,716 | relax-damped.ref |
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- | rw-r--r-- | 494 | relax-el.in |
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- | rw-r--r-- | 33,346 | relax-el.ref |
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- | rw-r--r-- | 29,098 | relax-pot_extrap2.ref |
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- | rwxr-xr-x | 331 | relax.in |
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- | rw-r--r-- | 27,869 | relax.ref |
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- | rwxr-xr-x | 774 | relax2-bfgs_ndim3.in |
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- | rw-r--r-- | 66,171 | relax2-bfgs_ndim3.ref |
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- | rwxr-xr-x | 761 | relax2.in |
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- | rw-r--r-- | 93,834 | relax2.ref |
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- | rw-r--r-- | 369 | scf-allfrac.in |
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- | rw-r--r-- | 9,128 | scf-allfrac.ref |
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- | rw-r--r-- | 353 | scf-cg.in |
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- | rw-r--r-- | 8,670 | scf-cg.ref |
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- | rw-r--r-- | 347 | scf-disk_io.in |
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- | rw-r--r-- | 393 | scf-disk_io.in1 |
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- | rw-r--r-- | 700 | scf-disk_io.in2 |
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- | rw-r--r-- | 8,752 | scf-disk_io.ref |
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- | rw-r--r-- | 10,466 | scf-disk_io.ref1 |
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- | rw-r--r-- | 8,209 | scf-disk_io.ref2 |
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- | rw-r--r-- | 272 | scf-gamma.in |
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- | rw-r--r-- | 9,675 | scf-gamma.ref |
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- | rw-r--r-- | 292 | scf-k0.in |
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- | rw-r--r-- | 9,222 | scf-k0.ref |
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- | rw-r--r-- | 268 | scf-kauto.in |
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- | rw-r--r-- | 8,818 | scf-kauto.ref |
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- | rw-r--r-- | 317 | scf-kcrys.in |
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- | rw-r--r-- | 9,227 | scf-kcrys.ref |
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- | rw-r--r-- | 351 | scf-mixing_TF.in |
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- | rw-r--r-- | 8,822 | scf-mixing_TF.ref |
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- | rw-r--r-- | 348 | scf-mixing_beta.in |
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- | rw-r--r-- | 9,191 | scf-mixing_beta.ref |
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- | rw-r--r-- | 357 | scf-mixing_localTF.in |
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- | rw-r--r-- | 8,895 | scf-mixing_localTF.ref |
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- | rw-r--r-- | 346 | scf-mixing_ndim.in |
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- | rw-r--r-- | 8,824 | scf-mixing_ndim.ref |
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- | rw-r--r-- | 340 | scf-ncpp.in |
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- | rw-r--r-- | 9,219 | scf-ncpp.ref |
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- | rw-r--r-- | 375 | scf-nofrac.in |
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- | rw-r--r-- | 9,092 | scf-nofrac.ref |
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- | rw-r--r-- | 421 | scf-occ.in |
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- | rw-r--r-- | 9,119 | scf-occ.ref |
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- | rw-r--r-- | 350 | scf-wf_collect.in |
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- | rw-r--r-- | 8,823 | scf-wf_collect.ref |
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- | rw-r--r-- | 347 | scf.in |
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- | rw-r--r-- | 374 | scf.in1 |
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- | rw-r--r-- | 683 | scf.in2 |
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- | rw-r--r-- | 9,153 | scf.ref |
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- | rw-r--r-- | 10,390 | scf.ref1 |
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- | rw-r--r-- | 8,133 | scf.ref2 |
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- | rwxr-xr-x | 450 | spinorbit.in |
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- | rwxr-xr-x | 378 | spinorbit.in1 |
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- | rwxr-xr-x | 412 | spinorbit.in2 |
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- | rw-r--r-- | 12,181 | spinorbit.ref |
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- | rw-r--r-- | 8,796 | spinorbit.ref1 |
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- | rw-r--r-- | 8,824 | spinorbit.ref2 |
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- | rwxr-xr-x | 357 | uspp-cg.in |
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- | rw-r--r-- | 10,443 | uspp-cg.ref |
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- | rwxr-xr-x | 355 | uspp-mixing_TF.in |
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- | rw-r--r-- | 11,368 | uspp-mixing_TF.ref |
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- | rwxr-xr-x | 361 | uspp-mixing_localTF.in |
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- | rw-r--r-- | 10,691 | uspp-mixing_localTF.ref |
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- | rwxr-xr-x | 352 | uspp-mixing_ndim.in |
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- | rw-r--r-- | 10,951 | uspp-mixing_ndim.ref |
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- | rwxr-xr-x | 355 | uspp-singlegrid.in |
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- | rw-r--r-- | 12,400 | uspp-singlegrid.ref |
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- | rwxr-xr-x | 370 | uspp.in |
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- | rwxr-xr-x | 344 | uspp.in2 |
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- | rw-r--r-- | 12,082 | uspp.ref |
|
- | rw-r--r-- | 12,521 | uspp.ref2 |
|
- | rwxr-xr-x | 373 | uspp1-coulomb.in |
|
- | rw-r--r-- | 12,349 | uspp1-coulomb.ref |
|
- | rwxr-xr-x | 365 | uspp1.in |
|
- | rw-r--r-- | 13,776 | uspp1.ref |
|
- | rwxr-xr-x | 374 | uspp2.in |
|
- | rw-r--r-- | 12,268 | uspp2.ref |
|
- | rwxr-xr-x | 844 | vc-md1.in |
|
- | rw-r--r-- | 124,523 | vc-md1.ref |
|
- | rwxr-xr-x | 846 | vc-md2.in |
|
- | rw-r--r-- | 120,120 | vc-md2.ref |
|
- | rwxr-xr-x | 846 | vc-relax1.in |
|
- | rw-r--r-- | 225,850 | vc-relax1.ref |
|
- | rwxr-xr-x | 874 | vc-relax2.in |
|
- | rw-r--r-- | 134,263 | vc-relax2.ref |
|
- | rwxr-xr-x | 819 | vc-relax3.in |
|
- | rw-r--r-- | 147,270 | vc-relax3.ref |
|
- | rwxr-xr-x | 857 | vc-relax4.in |
|
- | rw-r--r-- | 77,298 | vc-relax4.ref |
|
- | rw-r--r-- | 567 | vdw-d.in |
|
- | rw-r--r-- | 10,520 | vdw-d.ref |
|
- | rw-r--r-- | 480 | vdw-ts.in |
|
- | rw-r--r-- | 11,605 | vdw-ts.ref |
|
- | rw-r--r-- | 535 | vdw1.in |
|
- | rw-r--r-- | 13,386 | vdw1.ref |
|
- | rw-r--r-- | 536 | vdw2.in |
|
- | rw-r--r-- | 13,388 | vdw2.ref |
|
- | rw-r--r-- | 933 | vdw3.in |
|
- | rw-r--r-- | 72,656 | vdw3.ref |
|
- | rw-r--r-- | 911 | vdw4.in |
|
- | rw-r--r-- | 77,213 | vdw4.ref |
|
- | rwxr-xr-x | 539 | vdw5.in |
|
- | rw-r--r-- | 12,946 | vdw5.ref |
|
- | rw-r--r-- | 570 | xdm.in |
|
- | rw-r--r-- | 14,108 | xdm.ref |