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nwchem 7.0.2-1
  • links: PTS, VCS
  • area: main
  • in suites: bullseye
  • size: 1,134,820 kB
  • sloc: fortran: 4,903,090; ansic: 67,501; f90: 19,555; python: 17,912; java: 12,311; sh: 12,023; cpp: 9,896; perl: 6,123; csh: 4,345; makefile: 1,856; sed: 246; awk: 115; exp: 111; pascal: 76

Folder: lucia

d .. (parent)
- - rw-r--r-- 1,838 GNUmakefile
- - rw-r--r-- 1,431 H2case.nw
- - rw-r--r-- 88 MxFile.inc
- - rw-r--r-- 5,239 aixopn.F
- - rw-r--r-- 7,320 aixrd.F
- - rwxr-xr-x 173 akbk.inc
- - rwxr-xr-x 520 atim.c
- - rwxr-xr-x 235,248 baserou.F
- - rw-r--r-- 493 blksize.fh
- - rwxr-xr-x 240 cands.inc
- - rwxr-xr-x 96 cc_exc.inc
- - rw-r--r-- 4,047 cdafile.F
- - rw-r--r-- 83 ceblk.inc
- - rwxr-xr-x 145 cecore.inc
- - rwxr-xr-x 766 cei.inc
- - rwxr-xr-x 223 cfinal_e.inc
- - rwxr-xr-x 1,125 cgas.inc
- - rwxr-xr-x 28 chktyp.inc
- - rwxr-xr-x 528 cicisp.inc
- - rwxr-xr-x 1,110 cintfo.inc
- - rw-r--r-- 5,586 cio.c
- - rwxr-xr-x 1,037 clunit.inc
- - rwxr-xr-x 55 comjep.inc
- - rwxr-xr-x 56 constants.inc
- - rwxr-xr-x 922 corbex.inc
- - rwxr-xr-x 192 cprnt.inc
- - rwxr-xr-x 10,636 crop_simple.F
- - rwxr-xr-x 4,520 crun.inc
- - rwxr-xr-x 461 csf_sd_routines
- - rwxr-xr-x 207 csfbas.inc
- - rwxr-xr-x 40 cshift.inc
- - rwxr-xr-x 72 csm.inc
- - rwxr-xr-x 615 csmprd.inc
- - rwxr-xr-x 211 cstate.inc
- - rwxr-xr-x 2,036 ctcc.inc
- - rw-r--r-- 569 ctl.inc
- - rwxr-xr-x 246 cxpt.inc
- - rw-r--r-- 2,359 daname.F
- - rw-r--r-- 1,748 daname_main.F
- - rwxr-xr-x 1,055 dbgsym.inc
- - rwxr-xr-x 227,701 dblas.F
- - rw-r--r-- 4,061 ddafile.F
- - rwxr-xr-x 53,269 densi2_ab.F
- - rwxr-xr-x 1,977 determinant.F
- - rwxr-xr-x 441,024 dgeev_collect.F
- - rwxr-xr-x 409 diary_cc
- - rwxr-xr-x 3,546 diary_vb
- - rwxr-xr-x 72,247 diis.F
- - rwxr-xr-x 3,777 diis_simple.F
- - rwxr-xr-x 7,468 dim_pa.F
- - rwxr-xr-x 1,667 dummies.F
- - rwxr-xr-x 356,482 eispack.F
- - rwxr-xr-x 29,633 ekt.F
- - rwxr-xr-x 212 extbas.inc
- - rwxr-xr-x 8,414 filehand.F
- - rw-r--r-- 462 filesize.fh
- - rw-r--r-- 3,409 fio.inc
- - rwxr-xr-x 1,111 flush.c
- - rwxr-xr-x 925 fragmol.inc
- - rwxr-xr-x 109 freeunits.inc
- - rwxr-xr-x 62 frorbs.inc
- - rwxr-xr-x 367,331 gasdir2.F
- - rwxr-xr-x 366,373 gasdir2.F_vog0514
- - rwxr-xr-x 351,047 gasrou.F
- - rwxr-xr-x 950 gasstr.inc
- - rwxr-xr-x 245 gicci.inc
- - rwxr-xr-x 3,238 glbbas.inc
- - rwxr-xr-x 114 glstate.inc
- - rwxr-xr-x 602 gtbce.inc
- - rwxr-xr-x 27,784 gucc_fock.F
- - rwxr-xr-x 27,356 i2addr.F
- - rw-r--r-- 4,999 idafile.F
- - rw-r--r-- 6,021 idafile_.F
- - rwxr-xr-x 31 implicit.inc
- - rwxr-xr-x 58 intform.inc
- - rw-r--r-- 375 ioparm.inc
- - rwxr-xr-x 25 irat.inc
- - rwxr-xr-x 44 kprdwvf.inc
- - rwxr-xr-x 63,911 linpack1.F
- - rwxr-xr-x 25 lorr.inc
- - rwxr-xr-x 2,403 lsame.F
- - rwxr-xr-x 1,203,341 lucia.F
- - rwxr-xr-x 98,202 lucia1.F
- - rwxr-xr-x 229,228 lucia3.F
- - rwxr-xr-x 195,335 lucia4.F
- - rwxr-xr-x 513,435 lucia5.F
- - rwxr-xr-x 45,600 lucia6.F
- - rwxr-xr-x 152,005 lucia7.F
- - rwxr-xr-x 278,850 lucia_akbk.F
- - rwxr-xr-x 10,399 lucia_anders.F
- - rwxr-xr-x 5,000 lucia_caspt.F
- - rwxr-xr-x 117,980 lucia_cc.F
- - rwxr-xr-x 45,929 lucia_ccrsp.F
- - rwxr-xr-x 536,532 lucia_csf.F
- - rwxr-xr-x 361,920 lucia_gencc.F
- - rwxr-xr-x 50,788 lucia_gencc2.F
- - rwxr-xr-x 290,405 lucia_gencc3.F
- - rwxr-xr-x 39,602 lucia_gencc4.F
- - rwxr-xr-x 131,920 lucia_gencc5.F
- - rwxr-xr-x 273,283 lucia_gtbce.F
- - rwxr-xr-x 290,435 lucia_hf.F
- - rwxr-xr-x 503,819 lucia_ic.F
- - rwxr-xr-x 5,813 lucia_ic2.F
- - rwxr-xr-x 27,618 lucia_icci0.F
- - rwxr-xr-x 182,943 lucia_icei.F
- - rwxr-xr-x 147,408 lucia_mcscf.F
- - rwxr-xr-x 262,905 lucia_nortci.F
- - rwxr-xr-x 29,889 lucia_occ.F
- - rwxr-xr-x 11,155 lucia_oscc.F
- - rwxr-xr-x 58,321 lucia_prodexp.F
- - rw-r--r-- 114,042 lucia_supsym.F
- - rw-r--r-- 40,198 luciaw.F
- - rwxr-xr-x 6,136 lucifc.F
- - rwxr-xr-x 564 lucinp.inc
- - rwxr-xr-x 56 machine.inc
- - rwxr-xr-x 10,548 matml7.F
- - rwxr-xr-x 34,610 micdv6o.F
- - rw-r--r-- 483 molcastype.h
- - rwxr-xr-x 345 multd2h.inc
- - rw-r--r-- 57 mv7task.inc
- - rwxr-xr-x 1,928 mxpdim.inc
- - rwxr-xr-x 33 newccp.inc
- - rwxr-xr-x 5,460 numint.F
- - rwxr-xr-x 678 nwchem_data.inc
- - rwxr-xr-x 113 oper.inc
- - rwxr-xr-x 173,544 optc_routines.F
- - rwxr-xr-x 45,674 optcont.F
- - rwxr-xr-x 36,792 optcont_lambda.F
- - rwxr-xr-x 49,263 optcont_orbopt.F
- - rwxr-xr-x 507 opti.inc
- - rwxr-xr-x 3,049 orbinp.inc
- - rwxr-xr-x 255 prdwvf.inc
- - rwxr-xr-x 27 priunit.inc
- - rwxr-xr-x 72 proto_sp_mat.inc
- - rwxr-xr-x 624 prtim.F
- - rwxr-xr-x 5,926 qenter.F
- - rwxr-xr-x 479 rou_stat.inc
- - rwxr-xr-x 7,239 rsbb2b_m.F
- - rwxr-xr-x 54,159 rsbb2ben.F
- - rwxr-xr-x 26,203 rsbb2bn_ms.F
- - rw-r--r-- 56 sherman
- - rwxr-xr-x 1,988 spinfo.inc
- - rwxr-xr-x 126 stinf.inc
- - rwxr-xr-x 556 strbas.inc
- - rwxr-xr-x 259 strinp.inc
- - rw-r--r-- 3,132 strnln.F
- - rw-r--r-- 464 switch.inc
- - rwxr-xr-x 137 symrdc.inc
- - rw-r--r-- 2,435 testcase-O3.nw
- - rw-r--r-- 699,346 testcase-O3.output
- - rw-r--r-- 2,682 testcase-SplitGAS.nw
- - rw-r--r-- 73,624 testcase-SplitGAS.output
- - rw-r--r-- 2,823 testcase.nw
- - rw-r--r-- 86,373 testcase.reference.output
- - rwxr-xr-x 35,098 tra_kappa.F
- - rwxr-xr-x 124,064 tra_simple.F
- - rw-r--r-- 5,897 triprt.F
- - rwxr-xr-x 8,157 ucc_grad.F
- - rwxr-xr-x 745 vb.inc
- - rwxr-xr-x 58,432 vg.F
- - rw-r--r-- 1,686 wr_motra_info.F
- - rwxr-xr-x 32 wrkspc-static.inc
- - rwxr-xr-x 116 wrkspc.inc
- - rwxr-xr-x 1,150 xerbla.F