| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/cc/ |
| H A D | cc_r12vunpack.F | 103 isymij = muld2h(isymkl,isymv)
257 call dzero(vijkl,nijkl(isymv))
260 isymij = muld2h(isymkl,isymv)
333 isymkl = muld2h(isymij,isymv)
412 kbmat = kpckc + ntr12am(isymv)
418 kend1 = kpck + ntr12am(isymv)
422 kend1 = kpckv + ntr12am(isymv)
500 call cc_rvec(lufc12,fc12am,ntr12am(isymv),ntr12am(isymv),
623 call cc_wvec(lufr12,frho12,ntr12am(isymv),ntr12am(isymv),
866 & isymv,'T',one)
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| H A D | cc_r12rdpck.F | 41 integer isymv,isymi,isymj,isymk,isyml,isymij
95 call dzero(vpck,nkilj(isymv))
98 isymij = muld2h(isymkl,isymv)
245 integer isymv,isymi,isymj,isymk,isyml,isymij
300 isymij = muld2h(isymkl,isymv)
582 integer isymv,isymi,isymj,isymk,isyml
651 call dzero(vpck,nkilj(isymv))
654 isymij = muld2h(isymkl,isymv)
751 integer isymv,isymi,isymj,isymk,isyml
823 call dzero(vunpck,nklij(isymv))
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| H A D | cclhtr_r12.F | 218 integer isygam,isymc,isymv,isymij,isymmn,isymkl
238 isygam = muld2h(isymc,isymv)
258 call cc_prpr12(VINT,isymv,1,.FALSE.)
265 kscr = kvint + ntr12sq(isymv)
275 call ccr12unpck2(vint,isymv,work(kvint),'T',iopt)
280 call cc_prsqr12(work(kvint),isymv,'T',1,.FALSE.)
285 isymmn = muld2h(isymij,isymv)
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| H A D | cc_r12xieta.F | 1380 integer isymxi,isymv,isymc
1534 kend2 = kscr1 + nt1ao(isymv)
1541 isym1 = muld2h(isymv,isym2)
1564 isym1 = muld2h(isymv,isym2)
1958 integer isympt,isymv
1990 read(luvxint) isymv
1991 if (isymv .ne. isympt) then
2630 kend1 = kvint + nt1ao(isymv)
2632 kend1 = kvint + nt1am(isymv)
2643 kend2 = kscr1 + nt1ao(isymv)
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| H A D | cc_r12ccsd.F | 606 & isymv,idum,kvabkl,lunit,krpck,isymc,ntamp
673 isymv = 1
738 integer lwork,isymv,isymc,isymom,isymb,
783 isymom = muld2h(isymv,isymc)
817 isymkl = muld2h(isymv,isymab)
1076 isymmn = muld2h(isymv,isymab)
1168 isymv = muld2h(isymc1,isymc2)
1171 kend1 = kvcdkl + nvckdl(isymv)
1178 call dzero(work(kvcdkl),nvckdl(isymv))
1301 if (isymv.eq.1) then
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| H A D | cc_r12mkxajklfr.F | 43 & ntota,isymv,isymmuj,koffl,koffv,kvmujkl,
247 isymv = 1
277 isymij = muld2h(isymkl,isymv)
327 isymij = muld2h(isymkl,isymv)
641 isymv = 1
726 isymij = muld2h(isymkl,isymv)
838 isymij = muld2h(isymkl,isymv)
906 isymij = muld2h(isymkl,isymv)
1106 isymv = 1
1308 integer isymv,idxlk,idxklij,idxlkij,idxij,idxji local
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| H A D | cc_r12mkvamkl.F | 212 isymv = isymcmo
220 isymaj = muld2h(isymv,isymkl)
388 if (isymv.ne.muld2h(isymkl,isymaj))
464 isymaj = muld2h(isymv,isymkl)
696 isymgi = muld2h(isymv,isymbd)
765 isymaj = muld2h(isymv,isymkl)
1064 integer igabj(8),isycmo,isymv
1086 isymaj = muld2h(isymv,isymkl)
1114 isymaj = muld2h(isymv,isymkl)
1956 & ntoti,koffo,koffc,isymv,isymp
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| H A D | cc_r12mkxajkl.F | 277 isymv = 1
306 isymij = muld2h(isymkl,isymv)
352 isymij = muld2h(isymkl,isymv)
668 isymv = 1
715 isymij = muld2h(isymkl,isymv)
859 isymij = muld2h(isymkl,isymv)
927 isymij = muld2h(isymkl,isymv)
1131 isymv = 1
1233 isymij = muld2h(isymkl,isymv)
1466 isymv = 1
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| H A D | cc_r12a2.F | 245 subroutine cc_r12intf2(vitjtkl,lamdh,isymh,lamdhs,isymv, argument
265 integer isymv,krmtntkl,kgmtntkl,nt2aox,isymhs,isymhcs
310 isymkl = muld2h(isymv,isymij)
317 & ddot(ntr12sq(isymv),vitjtkl,1,vitjtkl,1)
420 isymkl = muld2h(isymv,isymij)
450 isymkl = muld2h(isymv,isymij)
457 & ddot(ntr12sq(isymv),vitjtkl,1,vitjtkl,1)
2534 integer isymv, isymc, lwork, lwrk1, lwrk2, kend1, kend2
2700 isymaj = muld2h(isymv,isymkl)
3997 integer lwork,isymv,lwrk1,kend1,isymkl,isymij,isymk,
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| H A D | cc_xieta.F | 586 INTEGER luxint,ian,isymv
2640 call ccprpao(labelh,.TRUE.,work(kprpao),isymv,isym,
2642 IF ((IERR.GT.0).OR.((IERR.EQ.0).AND.(isymv.NE.isyres))) THEN
3004 call ccprpao(labelh,.TRUE.,work(kprpao),isymv,isym,
3012 CALL DZERO(work(kprpao),N2BST(isymv))
3024 call dzero(work(kvxintsq),nr12r12sq(isymv))
3026 & isymv,labelh)
3033 & isymv,WORK(KLAMP0),WORK(KLAMH0),.false.,
3040 & isyctr,work(kxmatsq),work(kvxintsq),isymv,
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/qmcmm/ |
| H A D | response.F90 | 200 integer :: isymt, isymv, isymst, jspin, nsim local
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