/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/cc/ |
H A D | cc_r12vunpack.F | 51 real vijkl(*),vsing(*) 54 double precision vijkl(*),vsing(*) 148 & + vijkl(idxjikl)+vijkl(idxjilk)) 150 & + vijkl(idxjilk)-vijkl(idxjikl)) 205 real vijkl(*),vsing(*) 257 call dzero(vijkl,nijkl(isymv)) 313 vijkl(idxjilk) = vijkl(idxijkl) 314 vijkl(idxjikl) = vijkl(idxijlk) 606 & ddot(ntr12sq(isymv),vijkl,1,vijkl,1) 794 & ddot(ntr12sq(isymv),vijkl,1,vijkl,1) [all …]
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H A D | cc_mofconr12.F | 20 & isymhcs,vijkl,facterm23,vajkl,vabkl, 85 real xlamdh(*),work(*),vijkl(*),vajkl(*) 89 double precision xlamdh(*),work(*),vijkl(*),vajkl(*) 446 & xlamdps(*),xint(*),vijkl(*),vajkl(*),work(*), 656 & ddot(ntr12sq(isymhcs),vijkl,1,vijkl,1) 660 call cc_r12mkvkl(xgaijd,vijkl,facterm23,xlamdh,iglmrh, 709 real gaijd(*),vijkl(*),work(*),xlamdh(*) 712 double precision gaijd(*),vijkl(*),work(*),xlamdh(*) 867 & work(koffr),ntotm,one,vijkl(koffv),ntotij) 883 & work(koffr),ntota1,one,vijkl(koffv),ntotij) [all …]
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H A D | cc_r12mkvamkl.F | 1034 & fac,vijkl) 1071 real vajkl(*),cmo(*),work(*),vijkl(*),ddot,fac 1073 double precision vajkl(*),cmo(*),work(*),vijkl(*),ddot,fac 1146 & work(kscr1),1,vijkl(idxijkl),1) 1183 real vijkl(nr12t,nr12t,nr12t,nr12t),ff 1186 double precision vijkl(nr12t,nr12t,nr12t,nr12t),ff 1201 vsing(kl,ij) = vijkl(i,j,k,l)+ vijkl(i,j,l,k) 1204 vtrip(kl,ij) = vijkl(i,j,k,l)- vijkl(i,j,l,k) 1503 subroutine cc_r12mkvijkl0(vijkl) argument 1516 real vijkl(*) [all …]
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H A D | cc_r12ccsd.F | 185 subroutine cc_r12mkvtf(vabkl,vajkl,vijkl,cmo,isymc, argument 218 real vabkl(*),vajkl(*),vijkl(*),cmo(*),work(*),one,zero,ddot 220 double precision vabkl(*),vajkl(*),vijkl(*),cmo(*),work(*),one, 292 & lres,one,vijkl) 296 & ddot(ntr12sq(1),vijkl,1,vijkl,1)
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H A D | cc_r12a2.F | 3979 subroutine symV(vijkl,isymv,vsym,ndim1,ioff1,ioff2,ndim2, argument 4002 real vijkl(*),work(*),half,vsym(*) 4004 double precision vijkl(*),work(*),half,vsym(*) 4028 vsym(idxijkl)=half*(vijkl(idxijkl)+vijkl(idxjilk))
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