| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/rsp/ |
| H A D | rspqmmm.F | 3006 SUBROUTINE QMMMLNO_S1(WRK,LWRK,IPRTMP) argument
3105 SUBROUTINE QMMMLNO_M2(RXYO,UCMO,XINDMOM,WRK,LWRK) argument
3188 SUBROUTINE QMMMLNO_S2(WRK,LWRK,IPRTMP) argument
3373 SUBROUTINE QMMMQRO_S1(WRK,LWRK,IPRTMP) argument
3564 SUBROUTINE QMMMQRO_S2(WRK,LWRK,IPRTMP) argument
3767 SUBROUTINE QMMMCRO_S1(WRK,LWRK,IPRTMP) argument
3987 SUBROUTINE QMMMCRO_S2(WRK,LWRK,IPRTMP) argument
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| H A D | qfock.F | 641 SUBROUTINE MOTOAO(XMO,XAO,CMO,XSYM,WRK,LWRK) argument
712 SUBROUTINE AOTOMO(XAO,XMO,CMO,XSYM,WRK,LWRK) argument
779 SUBROUTINE D_K(N,E,D,DK,S,X,LWRK) argument
804 SUBROUTINE GET_H1(S,KEY,WRK,LWRK) argument
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| H A D | rspcr9.F | 1161 SUBROUTINE FAOMO(ISYMF,FAO,FMO,CMO,WRK,LWRK) argument
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| H A D | expone.F | 20 SUBROUTINE AVEPRP(CMO,UDV,PVX,WRK,LWRK) argument
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| H A D | rspesg_gp.F | 51 SUBROUTINE GETH1MO(H1MO,CMO,WRK,LWRK) argument
120 SUBROUTINE GETESG_DENMAT(DMAT,NDMAT,WRK,LWRK) argument
366 SUBROUTINE AO2MO(AAO,BMO,CMO,WRK,LWRK) argument
426 SUBROUTINE MO2AO(AMO,AAO,CMO,WRK,LWRK) argument
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| H A D | rspesg.F | 18 SUBROUTINE RSPESG(CMO,UDV,PV,FOCK,FC,FV,FCAC,H2AC,XINDX,WRK,LWRK) argument
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| H A D | rspqm3.F | 888 SUBROUTINE QM3LNO_M(RRAOx,TRMO,UTR,UTRX,IATNOW,NOSIM,WRK,LWRK, argument
1763 SUBROUTINE QM3QRO_M(TRES,IATNOW,NOSIM,WRK,LWRK,INUM,ISYMT, argument
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| H A D | rspg.F | 460 SUBROUTINE ECCSET(CMO,UDV,WRK,LWRK) argument
686 SUBROUTINE GETRMC(CMO,XINDX,AVE,WRK,LWRK) argument
766 SUBROUTINE GETGC1(CMO,XINDX,WRK,LWRK) argument
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| H A D | rspprp.F | 32 SUBROUTINE PPRST(IBTYP,REDS,REDE,UDV,XINDX,WRK,LWRK) argument
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/sirius/ |
| H A D | sirqmmm.F | 24 SUBROUTINE QMMMFCK(DCAO,DVAO,FSOL,EQMMM,WRK,LWRK,IPRINT) argument
80 SUBROUTINE QMMM_FCK_AO(FSOL,DCAO,ESOLT,WRK,LWRK,IPRINT) argument
763 SUBROUTINE QMMMFCKMO(CMO,FSOL,WRK,LWRK,IPRINT) argument
1550 SUBROUTINE MM_PROPS(WRK,LWRK,IPRINT) argument
1750 SUBROUTINE MM_DIPANDCHARGE(WRK,LWRK,IPRINT) argument
3835 SUBROUTINE PARQMMM_M(DCAO,TAO,ESOLT,LOCDEB,WRK,LWRK, argument
3987 SUBROUTINE PARQMMM_S(WRK,LWRK,IPRTMP) argument
4289 SUBROUTINE MM_FIELD_S1(WRK,LWRK,IPRTMP) argument
4531 SUBROUTINE MM_FIELD_S2(WRK,LWRK,IPRTMP) argument
4785 SUBROUTINE MM_POLAR_CONTR_S(WRK,LWRK,IPRTMP) argument
[all …]
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| H A D | sirqm3.F | 103 SUBROUTINE QM3_RRA(DCAO,WRK,LWRK,IPRINT) argument
347 SUBROUTINE QM3_NS(DCAO,DFTNS,WRK,LWRK,IPRINT) argument
528 SUBROUTINE QM3_NSP(DCAO,DFTNS,WRK,LWRK,IPRINT) argument
844 SUBROUTINE QM3_FMO(FSOL,WRK,LWRK,IPRINT) argument
1149 SUBROUTINE QM3_ENERGY(DFTNS,EEL,EPOL,EELEL,EQM3T,WRK,LWRK,IPRINT) argument
1311 SUBROUTINE QM3GRAD(CREF,CMO,INDXCI,G,EQM3T,WRK,LWRK,IPRINT) argument
1773 SUBROUTINE QM3FCKMO(CMO,FSOL,WRK,LWRK,IPRINT) argument
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| H A D | sirief.F | 1054 SUBROUTINE PCM_COMP_CHG(NOSIM, NEQ, WRK, LWRK) argument
1102 SUBROUTINE COMP_CHG(CHG, POTEN, QET, DO_FLAG, NEQ, WRK, LWRK) argument
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| H A D | drcctl.F | 39 SUBROUTINE DRCCTL(LVLDRC,CMO,WRK,LWRK) argument
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| H A D | sir_mep.F | 214 SUBROUTINE MEP_SLAVE(WRK,LWRK) argument
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| H A D | sirci.F | 2736 SUBROUTINE GETDVREF(ci_program,DVREF,IST,INDXCI,WRK,LWRK) argument
2803 SUBROUTINE GETUDVREF(ci_program,UDVREF,IST,INDXCI,WRK,LWRK) argument
2870 SUBROUTINE GETS2REF(PVREF,DVREF,IST,INDXCI,WRK,LWRK) argument
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| H A D | sirout.F | 20 SUBROUTINE SIROUT(ICONV,WRK,LWRK) argument
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| H A D | dypc.F | 18 SUBROUTINE dypc(escf,onel,id2n,in2d,WRK,LWRK, argument
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/cc/ |
| H A D | cc_tmcal.F | 22 SUBROUTINE CC_TMCAL(WRK,LWRK) argument
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| H A D | cc_smcal.F | 22 SUBROUTINE CC_SMCAL(WRK,LWRK) argument
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| H A D | ccrspsym.F | 21 SUBROUTINE CCRSPSYM(MOLGRD,WORK,LWRK) argument
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/abacus/ |
| H A D | abaltra.F | 35 SUBROUTINE LONTRA(IBXYZ,IBOPSY,H2LAC,FQL,CMO,PVSQ,WRK,LWRK,IPRINT) argument
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| /dports/math/openblas/OpenBLAS-0.3.18/lapack-netlib/SRC/ |
| H A D | chetrd_2stage.f | 248 INTEGER KD, IB, LWMIN, LHMIN, LWRK, LDAB, WPOS, ABPOS local
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| H A D | dsytrd_2stage.f | 248 INTEGER KD, IB, LWMIN, LHMIN, LWRK, LDAB, WPOS, ABPOS local
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| H A D | zhetrd_2stage.f | 248 INTEGER KD, IB, LWMIN, LHMIN, LWRK, LDAB, WPOS, ABPOS local
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| H A D | ssytrd_2stage.f | 248 INTEGER KD, IB, LWMIN, LHMIN, LWRK, LDAB, WPOS, ABPOS local
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