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Searched refs:ICDSYM (Results 1 – 15 of 15) sorted by relevance

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/rsp/
H A Drspfxd.F152 ICDSYM = MULD2H(ICSYM,IDSYM)
182 IH2SYM = MULD2H(ICDSYM,INTSYM)
207 IH2SYM = MULD2H(ICDSYM,INTSYM)
271 IH2SYM = MULD2H(ICDSYM,INTSYM)
288 IH2SY1 = MULD2H(ICDSYM,INTSY1)
373 IH2SY1 = MULD2H(ICDSYM,INTSY1)
425 IH2SY1 = MULD2H(ICDSYM,INTSY1)
660 * ICDSYM,ICSYM,IDSYM,
664 * ICDSYM,ICSYM,IDSYM,
688 * ICDSYM,IDSYM,ICSYM,
[all …]
H A Dfone.F152 ICDSYM = MULD2H(ICSYM,IDSYM)
155 IPSYM = MULD2H(IRSYM,ICDSYM)
319 ICDSYM = MULD2H(ICSYM,IDSYM)
322 IPSYM = MULD2H(IRSYM,ICDSYM)
417 IPSYM = MULD2H(IRSYM,ICDSYM)
570 ICDSYM = MULD2H(ICSYM,IDSYM)
571 IF ( ICDSYM.EQ.KSYMOP) THEN
641 ICDSYM = MULD2H(ICSYM,IDSYM)
642 IF ( ICDSYM.EQ.KSYMOP) THEN
H A Drspoli.F304 ICDSYM= MULD2H(ISMO(IC),ISMO(ID))
350 * WRK(KH2X),WRK(KH2XP),WRK(KCOEUN),ICI,IDI,ICDSYM,
356 * WRK(KH2),ICI,IDI,ICDSYM,NOSIM,XINDX(KABSAD),
365 & XINDX(KIADR1),ICI,IDI,ICDSYM)
373 CALL QONEMU(NOSIM,NCIW,NDIW,ICDSYM,
383 CALL SOPPAF(FVTD,WRK(KH2),ZYCVEC,ICI,IDI,ICDSYM,NCSIM,
399 CALL QTD(NCSIM,NCIW,NDIW,ICDSYM,QATD,QBTD,WRK(KH2),
481 ICDSYM= MULD2H(ISMO(IC),ISMO(ID))
516 & CALL QONEDI(NOSIM,NCIW,NDIW,ICDSYM,QAX,QBX,ZYMAT,
H A Dqrhso.F941 ICDSYM = MULD2H(ICSYM,IDSYM)
970 CALL FQDIS1(INTSYM,IC,ID,ICDTYP,ICDSYM,ICSYM,IDSYM,
984 CALL FQDIS1(INTSYM,IC,ID,ICDTYP,ICDSYM,ICSYM,IDSYM,
990 IH2SYM = MULD2H(ICDSYM,INTSYM)
1014 CALL FQDIS1(INTSY1,IC,ID,ICDTYP,ICDSYM,ICSYM,IDSYM,
1028 CALL FQDIS1(INTSY1,IC,ID,ICDTYP,ICDSYM,ICSYM,IDSYM,
1044 CALL FQDIS2(INTSYM,IC,ID,ICDTYP,ICDSYM,ICSYM,IDSYM,
1060 CALL FQDIS2(INTSYM,IC,ID,ICDTYP,ICDSYM,ICSYM,IDSYM,
H A Drspoit.F612 ICDSYM = MULD2H(ICSYM,IDSYM)
613 IABSYM = ICDSYM
619 WRITE (LUPRI,*) 'ICDSYM =',ICDSYM
1058 ICDSYM = MULD2H(ICSYM,IDSYM)
1059 IABSYM = MULD2H(LSYMXO,ICDSYM)
1065 WRITE (LUPRI,*) 'ICDSYM =',ICDSYM
H A Drsphso.F532 ICDSYM = MULD2H(ICSYM,IDSYM)
533 KCDSYM = MULD2H(KSYMOP,ICDSYM)
554 IF ( KSYMOP.EQ.ICDSYM ) THEN
675 IF (KSYMOP.EQ.ICDSYM) THEN
848 ICDSYM = MULD2H(ICSYM,IDSYM)
849 KCDSYM = MULD2H(KSYMOP,ICDSYM)
904 IQSYM = MULD2H(IWSYM,ICDSYM)
1676 ICDSYM = MULD2H(ICSYM,IDSYM)
1677 KCDSYM = MULD2H(KSYMOP,ICDSYM)
H A Drspe2c.F580 ICDSYM= MULD2H(ICSYM,IDSYM)
602 IPSYM = MULD2H(IRSYM,ICDSYM)
911 ICDSYM= MULD2H(ICSYM,IDSYM)
937 IQSYM = MULD2H(IXSYM,ICDSYM)
953 IQSYM = MULD2H(IXSYM,ICDSYM)
1892 IBSYM = MULD2H(IASYM,ICDSYM)
1915 IYSYM = MULD2H(IQSYM,ICDSYM)
2002 IBSYM = MULD2H(IASYM,ICDSYM)
2022 IYSYM = MULD2H(IQSYM,ICDSYM)
2140 IBSYM = MULD2H(IASYM,ICDSYM)
[all …]
H A Drspsoppa.F433 * COEUNP,ICI,IDI,ICDSYM,ITYPCD,NSIM,IADR1,WRK,LWRK)
477 IBSYM = MULD2H(IPSYM,ICDSYM)
638 * ICDSYM,ITYPCD,IADR1,WRK,LWRK)
648 * ICI,IDI,ICDSYM,ISEL,IADR1,WRK,LWRK)
672 IMSYM = MULD2H(ICDSYM,KSYMOP)
768 CALL PHPACK(COEUNP,COEMP2(IADR1(ICP,IDP)+1),ICDSYM,-1,-1)
770 IBSYM = MULD2H(IASYM,ICDSYM)
894 SUBROUTINE HRPAA2(COEMP2,H2,A2TEMP,COEUNP,IADR1,ICI,IDI,ICDSYM)
923 CALL PHPACK(COEUNP,COEMP2(IADR1(IDP,ICP)+1),ICDSYM,-1,-1)
925 IBSYM = MULD2H(IASYM,ICDSYM)
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/sirius/
H A Dsirfcktra.F664 subroutine FCKTRA_AB_PACK(NDMAT,H2CD_MO,H2CD_MO_PK,ICDSYM) argument
676 integer NDMAT, ICDSYM(NDMAT) local
694 & NORB,IORB,NORBT,ICDSYM(IDMAT),1)
700 & IDMAT,ICDSYM(IDMAT)
701 if (ICDSYM(idmat) == 1) then
1060 integer :: MMORBX, ICD, ICD_1, ICDSYM local
1147 ICDSYM = MULD2H( ISMO(IC), ISMO(ID) )
1150 & ICDSYM,-1)
1155 write (LUPRI,*) 'Unpacked H2CD, ICDSYM',ICDSYM
1157 if (ICDSYM.eq.1) then ! only print some of them, of ICDSYM.eq.1
H A Dsirtr1.F1789 ICDSYM = MULD2H(ICSYM,IDSYM)
1792 IPSYM = MULD2H(IRSYM,ICDSYM)
1924 ICDSYM = MULD2H(ICSYM,IDSYM)
1927 IPSYM = MULD2H(IRSYM,ICDSYM)
2002 IPSYM = MULD2H(IRSYM,ICDSYM)
2137 ICDSYM = MULD2H(ICSYM,IDSYM)
2138 IF ( ICDSYM.EQ.JWOPSY) THEN
2207 ICDSYM = MULD2H(ICSYM,IDSYM)
2209 IF ( ICDSYM.EQ.JWOPSY) THEN
2568 ICDSYM = MULD2H(ICSYM,IDSYM)
[all …]
H A Ddrcctl.F234 ICDSYM = MULD2H(ISMO(IC),ISMO(ID))
279 IBSYM = MULD2H(IASYM,ICDSYM)
H A Dsiraba.F831 ICDSYM = MULD2H(ICSYM,IDSYM)
845 CALL TR1LH1(TMAT(1,IOSIM),WRK(KH2CD),WRK(KH2XCD),ICDSYM,
871 IUVSYM = MULD2H(ICDSYM,JWOPSY)
898 CALL TR1LH1(TMAT(1,IOSIM),WRK(KH2CD),WRK(KH2XCD),ICDSYM,
H A Dsirci.F971 ICDSYM = MULD2H(ICSYM,IDSYM)
978 CALL ADH2AC(H2AC(1,NCDW),WRK(KH2CD),ICDSYM)
1097 ICDSYM = MULD2H(ICSYM,IDSYM)
1105 CALL ADH2AC(H2ACCD,WRK(KH2CD),ICDSYM)
H A Dsirgrad.F1000 ICDSYM = MULD2H(ICSYM,IDSYM)
1001 INTSYM = MULD2H(IABSYM,ICDSYM)
1008 IF (ITYPCD.EQ.4 .AND. ICDSYM.NE.JWOPSY) ITYPCD = 0
1014 WRITE (LUPRI,*)'IABSYM,ICDSYM,INTSYM ',IABSYM,ICDSYM,INTSYM
H A Dsirmp2.F2218 ICDSYM = MULD2H(ICSYM,IDSYM)
2229 IBSYM = MULD2H(IASYM, ICDSYM)