| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/lucia/ |
| H A D | vg.F | 1 SUBROUTINE COUNT_OCCURENCE(IVEC,IOCC,NELMNT,MAXVAL) argument
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| H A D | lucia_csf.F | 4887 SUBROUTINE REFORM_CONF_ACCOCC(IACOCC,IOCC,IWAY,NORB) argument
5652 SUBROUTINE GETDET_FOR_CONF(IOCC,NOCOB,NOPEN,NELEC,JPDET,IPDET, argument
6271 SUBROUTINE GETDETS_FOR_CONF(IOCC,NOCOB,NOPEN,NELEC,NPDET,IPDET, argument
6556 SUBROUTINE NXT_OCCLS_IN_MINMAX_SPC(IOCC,IGSOCC_MIN,IGSOCC_MAX, argument
6716 SUBROUTINE REF_OCCLS(IOCC_A,IOCC,IWAY,NGAS) argument
7301 SUBROUTINE SPIN_COUPLING_PATTERN(IOCC,ISPIN,IPAT,NCL,NOP) argument
10560 SUBROUTINE NEXT_CONF_IN_CONFSPC(IOCC,IOPEN,INUM_OP,INI, argument
13274 SUBROUTINE GEN_OCCONF_FOR_OCCLS_FROM_OCSBCLS(IOCCLS,ISM,IOCC, argument
13893 SUBROUTINE REO_FOR_CONFS(IOCC,MAXOP,NSMOB, argument
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| H A D | lucia_gencc3.F | 1787 SUBROUTINE INUM_FOR_OCC2(IOCC,INUM,NDIFF) argument
1818 SUBROUTINE INUM_FOR_OCC21(IOCC,INUM,NGAS,ISPOBEX_TP, argument
2547 SUBROUTINE INUM_FOR_OCC(IOCC,INUM) argument
2575 SUBROUTINE INUM_FOR_OCC1(IOCC,INUM,NGAS,ISPOBEX_TP, argument
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| H A D | lucia_gencc.F | 4657 SUBROUTINE SUM_FDIA_FOR_STR(FSUM,FDIA,NSTR,NEL,IOCC) argument
7240 SUBROUTINE OCC_TO_GRP(IOCC,IGRP,IWAY) argument
7293 SUBROUTINE NST_SPGP(IOCC,NSTFSM) argument
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| H A D | lucia_ic.F | 648 SUBROUTINE CHECK_EXC_FR_OR_DE(IOP,IOCC,NGAS,IOKAY) argument
706 SUBROUTINE CHECK_EXC_FR(IOP,IOCC,NGAS,IOKAY) argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/lucia/ |
| H A D | vg.F | 1 SUBROUTINE COUNT_OCCURENCE(IVEC,IOCC,NELMNT,MAXVAL) argument
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| H A D | lucia_csf.F | 4887 SUBROUTINE REFORM_CONF_ACCOCC(IACOCC,IOCC,IWAY,NORB) argument
5652 SUBROUTINE GETDET_FOR_CONF(IOCC,NOCOB,NOPEN,NELEC,JPDET,IPDET, argument
6271 SUBROUTINE GETDETS_FOR_CONF(IOCC,NOCOB,NOPEN,NELEC,NPDET,IPDET, argument
6556 SUBROUTINE NXT_OCCLS_IN_MINMAX_SPC(IOCC,IGSOCC_MIN,IGSOCC_MAX, argument
6716 SUBROUTINE REF_OCCLS(IOCC_A,IOCC,IWAY,NGAS) argument
7301 SUBROUTINE SPIN_COUPLING_PATTERN(IOCC,ISPIN,IPAT,NCL,NOP) argument
10560 SUBROUTINE NEXT_CONF_IN_CONFSPC(IOCC,IOPEN,INUM_OP,INI, argument
13274 SUBROUTINE GEN_OCCONF_FOR_OCCLS_FROM_OCSBCLS(IOCCLS,ISM,IOCC, argument
13893 SUBROUTINE REO_FOR_CONFS(IOCC,MAXOP,NSMOB, argument
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| H A D | lucia_gencc3.F | 1787 SUBROUTINE INUM_FOR_OCC2(IOCC,INUM,NDIFF) argument
1818 SUBROUTINE INUM_FOR_OCC21(IOCC,INUM,NGAS,ISPOBEX_TP, argument
2547 SUBROUTINE INUM_FOR_OCC(IOCC,INUM) argument
2575 SUBROUTINE INUM_FOR_OCC1(IOCC,INUM,NGAS,ISPOBEX_TP, argument
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| H A D | lucia_gencc.F | 4657 SUBROUTINE SUM_FDIA_FOR_STR(FSUM,FDIA,NSTR,NEL,IOCC) argument
7240 SUBROUTINE OCC_TO_GRP(IOCC,IGRP,IWAY) argument
7293 SUBROUTINE NST_SPGP(IOCC,NSTFSM) argument
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| H A D | lucia_ic.F | 648 SUBROUTINE CHECK_EXC_FR_OR_DE(IOP,IOCC,NGAS,IOKAY) argument
706 SUBROUTINE CHECK_EXC_FR(IOP,IOCC,NGAS,IOKAY) argument
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