/dports/science/nwchem-data/nwchem-7.0.2-release/src/lucia/ |
H A D | diis.F | 481 SUBROUTINE APRJAC_TV(NVEC,LUIN,LUOUT,LUVEC,LUJVEC, argument 799 SUBROUTINE APRJAC_TV2(NVEC,NNEWVEC,LUIN,LUOUT,LUVEC, argument 1246 SUBROUTINE APRJAC_TV3(NVEC,NNEWVEC,NDELVEC,LUIN,LUOUT,LUVEC, argument
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H A D | lucia3.F | 594 SUBROUTINE H0M1TD(LUOUT,LUDIA,LUIN,LBLK,NPQDM,IPNTR, argument 6064 SUBROUTINE TRAVCD(VEC1,VEC2,X,NVECIN,NVECOUT,LUIN,LUOUT, argument 6102 SUBROUTINE MVCSMD2(LUIN,FAC,FACLUOUT,LUOUT,LUSCR, argument 6501 SUBROUTINE MGSCD(LUIN,NVECIN,LUOUT,NVECUT,X,VEC1,VEC2, argument 6802 SUBROUTINE TRAVCMF(NFILE,LU_FILE,NVC_FILE,NIN,NOUT,LUOUT,X, argument 6873 SUBROUTINE COPNVCD(LUIN,LUOUT,NVEC,SEGMNT,IREW,LBLK) argument 7140 SUBROUTINE MERGE_VECFILES(NFL_IN,LUFL_IN, NVCFL_IN,LUOUT, argument
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H A D | lucia_gencc4.F | 1269 SUBROUTINE ORTH_VEC(LUVEC,NVEC,NORT,NVAR,VEC1,VEC2,LUSCR,LUOUT, argument
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H A D | lucia_ic.F | 7502 SUBROUTINE PROJ_VEC_TO_ICSPC(LUREF,LUIN,LUOUT,VEC1_CI,VEC2_CI, argument 13872 SUBROUTINE GET_GICCI_0(KTEXG,LUOUT,LUC,LUSC2,LUSC3) argument 13889 SUBROUTINE GET_GICCI_EXP(KTEXG,IEX_MAX,LUC,LUOUT,LUSC2,LUSC3) argument 14107 SUBROUTINE GET_GICCI_DELTA(KTEXG,IACT,TACT,LUC,LUOUT,LUSC2, argument
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H A D | tra_simple.F | 2172 SUBROUTINE WRITE_H1_WITH_INDEX(H1,NSMOB,NOBPSM,LUOUT) argument
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H A D | gasdir2.F | 1080 SUBROUTINE SETVCD(LUIN,LUOUT,SEGMNT,VALUE,IREW,LBLK) argument 3038 SUBROUTINE DIA0TRM_GAS(ITASK,LUIN,LUOUT,VEC,VEC2, argument
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H A D | lucia.F | 9201 SUBROUTINE INPCTL(LUIN,LUOUT) argument 14258 SUBROUTINE ORBINF(LUOUT,IPRNT) argument 15630 SUBROUTINE READIN(rtdb,LUOUT) argument 23488 SUBROUTINE READIN_orig(LUIN,LUOUT) argument 31504 SUBROUTINE RESID(LUC,LUHC,LUOUT,LUDIA,LBLK, argument 32905 SUBROUTINE WRTHD(LUOUT) argument
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H A D | lucia_nortci.F | 1679 SUBROUTINE SCA_VEC_TO_BLKV_DISC(VEC,ISCA,NELMNT,LUOUT,NBLOCK, argument
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H A D | baserou.F | 1123 SUBROUTINE COPVCDP(LUIN,LUOUT,SEGMNT,IREW,LBLK) argument 1169 SUBROUTINE COPVCD(LUIN,LUOUT,SEGMNT,IREW,LBLK) argument 5371 SUBROUTINE MVCSMD(LUIN,FAC,LUOUT,LUSCR,VEC1,VEC2,NVEC,IREW,LBLK) argument 5510 SUBROUTINE ORTVCD(LUIN,LUVEC,LUOUT,LUSCR,VEC1,VEC2,NVEC,LBLK, argument 5956 SUBROUTINE SCLVCD(LUIN,LUOUT,SCALE,SEGMNT,IREW,LBLK) argument
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H A D | lucia4.F | 1000 SUBROUTINE HTV(VECIN,VECOUT,LUIN,LUOUT) argument
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/lucia/ |
H A D | diis.F | 481 SUBROUTINE APRJAC_TV(NVEC,LUIN,LUOUT,LUVEC,LUJVEC, argument 799 SUBROUTINE APRJAC_TV2(NVEC,NNEWVEC,LUIN,LUOUT,LUVEC, argument 1246 SUBROUTINE APRJAC_TV3(NVEC,NNEWVEC,NDELVEC,LUIN,LUOUT,LUVEC, argument
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H A D | lucia3.F | 594 SUBROUTINE H0M1TD(LUOUT,LUDIA,LUIN,LBLK,NPQDM,IPNTR, argument 6064 SUBROUTINE TRAVCD(VEC1,VEC2,X,NVECIN,NVECOUT,LUIN,LUOUT, argument 6102 SUBROUTINE MVCSMD2(LUIN,FAC,FACLUOUT,LUOUT,LUSCR, argument 6501 SUBROUTINE MGSCD(LUIN,NVECIN,LUOUT,NVECUT,X,VEC1,VEC2, argument 6802 SUBROUTINE TRAVCMF(NFILE,LU_FILE,NVC_FILE,NIN,NOUT,LUOUT,X, argument 6873 SUBROUTINE COPNVCD(LUIN,LUOUT,NVEC,SEGMNT,IREW,LBLK) argument 7140 SUBROUTINE MERGE_VECFILES(NFL_IN,LUFL_IN, NVCFL_IN,LUOUT, argument
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H A D | lucia_gencc4.F | 1269 SUBROUTINE ORTH_VEC(LUVEC,NVEC,NORT,NVAR,VEC1,VEC2,LUSCR,LUOUT, argument
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H A D | lucia_ic.F | 7502 SUBROUTINE PROJ_VEC_TO_ICSPC(LUREF,LUIN,LUOUT,VEC1_CI,VEC2_CI, argument 13872 SUBROUTINE GET_GICCI_0(KTEXG,LUOUT,LUC,LUSC2,LUSC3) argument 13889 SUBROUTINE GET_GICCI_EXP(KTEXG,IEX_MAX,LUC,LUOUT,LUSC2,LUSC3) argument 14107 SUBROUTINE GET_GICCI_DELTA(KTEXG,IACT,TACT,LUC,LUOUT,LUSC2, argument
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H A D | tra_simple.F | 2172 SUBROUTINE WRITE_H1_WITH_INDEX(H1,NSMOB,NOBPSM,LUOUT) argument
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H A D | gasdir2.F | 1080 SUBROUTINE SETVCD(LUIN,LUOUT,SEGMNT,VALUE,IREW,LBLK) argument 3038 SUBROUTINE DIA0TRM_GAS(ITASK,LUIN,LUOUT,VEC,VEC2, argument
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H A D | lucia.F | 9201 SUBROUTINE INPCTL(LUIN,LUOUT) argument 14258 SUBROUTINE ORBINF(LUOUT,IPRNT) argument 15630 SUBROUTINE READIN(rtdb,LUOUT) argument 23488 SUBROUTINE READIN_orig(LUIN,LUOUT) argument 31504 SUBROUTINE RESID(LUC,LUHC,LUOUT,LUDIA,LBLK, argument 32905 SUBROUTINE WRTHD(LUOUT) argument
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H A D | lucia_nortci.F | 1679 SUBROUTINE SCA_VEC_TO_BLKV_DISC(VEC,ISCA,NELMNT,LUOUT,NBLOCK, argument
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H A D | baserou.F | 1123 SUBROUTINE COPVCDP(LUIN,LUOUT,SEGMNT,IREW,LBLK) argument 1169 SUBROUTINE COPVCD(LUIN,LUOUT,SEGMNT,IREW,LBLK) argument 5383 SUBROUTINE MVCSMD(LUIN,FAC,LUOUT,LUSCR,VEC1,VEC2,NVEC,IREW,LBLK) argument 5522 SUBROUTINE ORTVCD(LUIN,LUVEC,LUOUT,LUSCR,VEC1,VEC2,NVEC,LBLK, argument 5968 SUBROUTINE SCLVCD(LUIN,LUOUT,SCALE,SEGMNT,IREW,LBLK) argument
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/gp/ |
H A D | gplucia_io.F | 26 SUBROUTINE COPVCD(LUIN,LUOUT,SEGMNT,IREW,LBLK) argument 125 SUBROUTINE COPVCDP(LUIN,LUOUT,SEGMNT,IREW,LBLK) argument 1077 SUBROUTINE MVCSMD(LUIN,FAC,LUOUT,LUSCR,VEC1,VEC2,NVEC,IREW,LBLK) argument 1115 SUBROUTINE MVCSMD2(LUIN,FAC,FACLUOUT,LUOUT,LUSCR, argument 1197 SUBROUTINE SCLVCD(LUIN,LUOUT,SCALE,SEGMNT,IREW,LBLK) argument 1240 SUBROUTINE manipulate_vcd(LUIN,LUOUT,constant,SEGMNT,IREW,LBLK) argument 1572 SUBROUTINE TRAVCD(VEC1,VEC2,X,NVECIN,NVECOUT,LUIN,LUOUT, argument
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H A D | gplupar.F | 569 subroutine copy_vector_sequential_2_mpi_io(LUIN,LUOUT,VEC1, argument 1058 SUBROUTINE COPVCD_PAR_BDRIV5_REL(LUIN,LUOUT,SEGMNT,IBLOCKD, argument 1362 SUBROUTINE H0M1TD_REL_PAR(LUOUT,LUDIA,LUIN,SHIFT,VEC1,VEC2, argument 1516 SUBROUTINE COPVCD_PP_CC_B(LUIN,LUOUT,SCR,NBATCH,LBATCH,LEBATCH, argument 2541 SUBROUTINE COPVCD_PP_CC_B_C(LUIN,LUOUT,SCR,NBATCH,LBATCH,LEBATCH, argument
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/lucita/ |
H A D | diagonal.F | 24 SUBROUTINE DIA0TRM_GAS(ITASK,LUIN,LUOUT,VEC,VEC2, argument
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H A D | diagonalize.F | 3423 SUBROUTINE H0M1TD(LUOUT,LUDIA,LUIN,LBLK,NPQDM,IPNTR, argument 3942 SUBROUTINE HTV(VECIN,VECOUT,LUIN,LUOUT) argument
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H A D | vecmat.F | 2010 SUBROUTINE SETVCD(LUIN,LUOUT,SEGMNT,VALUE,IREW,LBLK) argument
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/rsp/ |
H A D | absorp.F | 1088 SUBROUTINE ABSWRT(LUIN,LUOUT,LABEL,IOP,NFREQ_ABS,FREQ_ABS, argument
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