/dports/misc/rump/buildrump.sh-b914579/src/share/mk/ |
H A D | bsd.ioconf.mk | 20 ioconf.c: ${IOCONF} ${CONFIGDEP} 26 touch ioconf.c ioconf.h locators.h 30 ioconf.c: 31 @echo do not include bsd.ioconf.mk directly 36 locators.h: ioconf.c 37 ioconf.h: ioconf.c 39 CLEANFILES+= ioconf.c ioconf.h locators.h 40 DPSRCS+= ioconf.c ioconf.h locators.h
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/selci/ |
H A D | iodiff.F | 19 integer function selci_iodiff(ioconf,joconf,nintpo) 33 ipop = ipop + popcnt(ieor(ioconf(i),joconf(i))) 38 subroutine selci_viodiff(ioconf,joconf,nintpo,nconf,iexcit) argument 39 integer ioconf(nintpo*nconf), iexcit(nconf) local 56 tmp(k ) = ieor(ioconf(icbase+k ),itest1) 62 tmp(k ) = ieor(ioconf(icbase+k ),itest1) 63 tmp(k+1) = ieor(ioconf(icbase+k+1),itest2) 70 tmp(k ) = ieor(ioconf(icbase+k ),itest1) 71 tmp(k+1) = ieor(ioconf(icbase+k+1),itest2) 72 tmp(k+2) = ieor(ioconf(icbase+k+2),itest3) [all …]
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H A D | ointer.F | 3 logical function selci_ointer(noconf,ioconf,joconf,nintpo) 7 integer ioconf(nintpo*noconf),joconf(nintpo) 36 iwrk1(i) = ieor(itest,ioconf(ioff+i)) 49 iwrk1(i ) = ieor(itest1,ioconf(ioff+i )) 50 iwrk1(i+1) = ieor(itest2,ioconf(ioff+i+1)) 64 iwrk1(i ) = ieor(itest1,ioconf(ioff+i )) 65 iwrk1(i+1) = ieor(itest2,ioconf(ioff+i+1)) 66 iwrk1(i+2) = ieor(itest3,ioconf(ioff+i+2)) 79 iwrk1(k+iw) = ieor(joconf(iw),ioconf(ioffk+iw))
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H A D | makeh.F | 17 subroutine selci_makeh(h,g,int12,int34,w1,w2,ioconf,indxci,hd, argument 29 & ioconf(nintpo,noconf),indxci(noconf),hd(nci) 67 call selci_upkcon(norbs, iocc, ioconf(1,iconf), nintpo, nbitpi) 80 iexcit = selci_iodiff(ioconf(1,iconf), ioconf(1,jconf), 101 call selci_getij(i,j,ioconf(1,iconf),ioconf(1,jconf), 106 call selci_gtijkl(ind,ioconf(1,iconf),ioconf(1,jconf),
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H A D | orbanal.F | 3 subroutine selci_orbanal(noconf, ioconf, nintpo, nbitpi, norbs, argument 10 integer ioconf(nintpo, noconf) 24 call selci_upkcon(norbs, iocc, ioconf(1,iconf), nintpo, nbitpi) 59 subroutine makeicon4(noconf, ioconf, nintpo, nbitpi, norbs, argument 65 integer ioconf(nintpo,noconf) 80 call selci_upkcon(norbs, iocc, ioconf(1,iconf), nintpo, nbitpi)
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H A D | selci_select.F | 75 ioconf = selci_mptr(mitod(nintpo*nconmx)) 91 call selci_rdconf(iflcon,q(ioconf),q(indxci),nintpo,noconf) 93 call selci_orbanal(noconf, q(ioconf), nintpo, nbitpi, norbs, 109 call selci_mke0mp(q(ioconf),q(indxci),q(ici),q(iroots_mp), 118 call ga_brdcst(16,q(ioconf),mitob(nintpo*nconmx),0) 151 $ q(ioconf),q(indxci),q(iroots),q(ici), 158 call selci_ptidy(q(ioconf), nintpo, noconf, ncold, nconmx, nroot, 170 call selci_mkindx(q(ioconf),q(indxci),ncinew,nnsmax) 196 call selci_mknsneed(q(ioconf),noconf,nintpo,nbitpi,norbs, 202 call selci_wtconf(iflcon,q(ioconf),nintpo*noconf,q(indxci),
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H A D | mkvc.F | 3 subroutine selci_mkvc(q, h,g,int12,int34,w1,w2,ioconf,indxci, argument 15 $ ioconf(nintpo,ncold),indxci(ncold),iexv(ncold), 44 call selci_viodiff(ioconf(1,iconf),ipack,nintpo, 53 call selci_prtcon(ifllog, norbs, ioconf(1,jconf), nintpo, 64 call selci_getij(i,j,ipack,ioconf(1,jconf), 70 call selci_gtijkl(ind,ipack,ioconf(1,jconf),
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H A D | slect.F | 3 subroutine selci_slect(q,h,g,int12,int34,w1,w2,ioconf,indxci, argument 17 $ ioconf(nintpo,nconmx),indxci(nconmx),roots(nroot), 58 & noconf,ioconf,nintpo,nconmx,ncold) 70 & noconf,ioconf,nintpo,nconmx,ncold) 75 call selci_upkcon(norbs, iocc, ioconf(1,iconf), nintpo, nbitpi) 96 call selci_tester(q, h, g, int12, int34, w1, w2, ioconf, 140 $ ioconf, indxci, roots, ci, nconmx,
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H A D | rdconf.f | 3 subroutine selci_rdconf(iflcon,ioconf,indxci,nintpo,noconf) argument 7 integer ioconf(nintpo*noconf),indxci(noconf+1) 11 read (iflcon) ioconf
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H A D | pconls.F | 3 subroutine selci_pconls(ioconf) argument 9 dimension ioconf(nintpo,noconf) 14 call selci_prtcon(ifllog,norbs,ioconf(1,iconf),nintpo,nbitpi)
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H A D | prtcon.f | 3 subroutine selci_prtcon(ifllog, norbs, ioconf, nintpo, nbitpi) argument 7 dimension ioconf(nintpo),iocc(255) 9 call selci_upkcon(norbs, iocc, ioconf, nintpo, nbitpi)
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H A D | tester.F | 3 subroutine selci_tester(q,h, g, int12, int34, w1, w2, ioconf, argument 23 $ ioconf(nintpo,nconmx),indxci(nconmx),roots(nroot), 42 if(selci_ointer(iconf-1,ioconf,itemp,nintpo)) return 44 if(selci_oeq(ncold-iconf+1,ioconf(1,iconf),itemp,nintpo)) return 54 call selci_mkvc(q, h,g,int12,int34,w1,w2,ioconf,indxci,q(iexv), 122 call selci_icopy(nintpo,itemp,1,ioconf(1,noconf),1)
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H A D | oeq.f | 3 logical function selci_oeq(noconf,ioconf,joconf,nintpo) 7 integer ioconf(nintpo,noconf),joconf(nintpo) 33 owrk(i) = (itest .eq. ioconf(iw,i+ioff)) .and. owrk(i)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/selci/ |
H A D | iodiff.F | 19 integer function selci_iodiff(ioconf,joconf,nintpo) 34 ipop = ipop + selci_popcnt32(ieor(ioconf(i),joconf(i))) 39 subroutine selci_viodiff(ioconf,joconf,nintpo,nconf,iexcit) argument 40 integer ioconf(nintpo*nconf), iexcit(nconf) local 57 tmp(k ) = ieor(ioconf(icbase+k ),itest1) 63 tmp(k ) = ieor(ioconf(icbase+k ),itest1) 64 tmp(k+1) = ieor(ioconf(icbase+k+1),itest2) 71 tmp(k ) = ieor(ioconf(icbase+k ),itest1) 72 tmp(k+1) = ieor(ioconf(icbase+k+1),itest2) 73 tmp(k+2) = ieor(ioconf(icbase+k+2),itest3) [all …]
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H A D | ointer.F | 3 logical function selci_ointer(noconf,ioconf,joconf,nintpo) 7 integer ioconf(nintpo*noconf),joconf(nintpo) 40 iwrk1(i) = ieor(itest,ioconf(ioff+i)) 51 iwrk1(i ) = ieor(itest1,ioconf(ioff+i )) 52 iwrk1(i+1) = ieor(itest2,ioconf(ioff+i+1)) 64 iwrk1(i ) = ieor(itest1,ioconf(ioff+i )) 65 iwrk1(i+1) = ieor(itest2,ioconf(ioff+i+1)) 66 iwrk1(i+2) = ieor(itest3,ioconf(ioff+i+2)) 77 iwrk1(k+iw) = ieor(joconf(iw),ioconf(ioffk+iw))
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H A D | makeh.F | 17 subroutine selci_makeh(h,g,int12,int34,w1,w2,ioconf,indxci,hd, argument 29 & ioconf(nintpo,noconf),indxci(noconf),hd(nci) 67 call selci_upkcon(norbs, iocc, ioconf(1,iconf), nintpo, nbitpi) 80 iexcit = selci_iodiff(ioconf(1,iconf), ioconf(1,jconf), 101 call selci_getij(i,j,ioconf(1,iconf),ioconf(1,jconf), 106 call selci_gtijkl(ind,ioconf(1,iconf),ioconf(1,jconf),
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H A D | orbanal.F | 3 subroutine selci_orbanal(noconf, ioconf, nintpo, nbitpi, norbs, argument 10 integer ioconf(nintpo, noconf) 24 call selci_upkcon(norbs, iocc, ioconf(1,iconf), nintpo, nbitpi) 59 subroutine makeicon4(noconf, ioconf, nintpo, nbitpi, norbs, argument 65 integer ioconf(nintpo,noconf) 80 call selci_upkcon(norbs, iocc, ioconf(1,iconf), nintpo, nbitpi)
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H A D | selci_select.F | 77 ioconf = selci_mptr(mitod(nintpo*nconmx)) 93 call selci_rdconf(iflcon,q(ioconf),q(indxci),nintpo,noconf) 95 call selci_orbanal(noconf, q(ioconf), nintpo, nbitpi, norbs, 111 call selci_mke0mp(q(ioconf),q(indxci),q(ici),q(iroots_mp), 120 call ga_brdcst(16,q(ioconf),mitob(nintpo*nconmx),0) 153 $ q(ioconf),q(indxci),q(iroots),q(ici), 160 call selci_ptidy(q(ioconf), nintpo, noconf, ncold, nconmx, nroot, 172 call selci_mkindx(q(ioconf),q(indxci),ncinew,nnsmax) 198 call selci_mknsneed(q(ioconf),noconf,nintpo,nbitpi,norbs, 204 call selci_wtconf(iflcon,q(ioconf),nintpo*noconf,q(indxci),
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H A D | mkvc.F | 3 subroutine selci_mkvc(q, h,g,int12,int34,w1,w2,ioconf,indxci, argument 15 $ ioconf(nintpo,ncold),indxci(ncold),iexv(ncold), 44 call selci_viodiff(ioconf(1,iconf),ipack,nintpo, 53 call selci_prtcon(ifllog, norbs, ioconf(1,jconf), nintpo, 64 call selci_getij(i,j,ipack,ioconf(1,jconf), 70 call selci_gtijkl(ind,ipack,ioconf(1,jconf),
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H A D | ointer.mod.F | 1 logical function selci_ointer(noconf,ioconf,joconf,nintpo) 5 integer ioconf(nintpo*noconf),joconf(nintpo) 39 iwrk1(i) = ieor(itest,ioconf(ioff+i)) 62 iwrk1(k+iw) = ieor(joconf(iw),ioconf(ioffk+iw))
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H A D | slect.F | 3 subroutine selci_slect(q,h,g,int12,int34,w1,w2,ioconf,indxci, argument 17 $ ioconf(nintpo,nconmx),indxci(nconmx),roots(nroot), 58 & noconf,ioconf,nintpo,nconmx,ncold) 70 & noconf,ioconf,nintpo,nconmx,ncold) 75 call selci_upkcon(norbs, iocc, ioconf(1,iconf), nintpo, nbitpi) 96 call selci_tester(q, h, g, int12, int34, w1, w2, ioconf, 140 $ ioconf, indxci, roots, ci, nconmx,
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H A D | rdconf.f | 3 subroutine selci_rdconf(iflcon,ioconf,indxci,nintpo,noconf) argument 7 integer ioconf(nintpo*noconf),indxci(noconf+1) 11 read (iflcon) ioconf
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H A D | pconls.F | 3 subroutine selci_pconls(ioconf) argument 9 dimension ioconf(nintpo,noconf) 14 call selci_prtcon(ifllog,norbs,ioconf(1,iconf),nintpo,nbitpi)
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H A D | prtcon.f | 3 subroutine selci_prtcon(ifllog, norbs, ioconf, nintpo, nbitpi) argument 7 dimension ioconf(nintpo),iocc(255) 9 call selci_upkcon(norbs, iocc, ioconf, nintpo, nbitpi)
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H A D | tester.F | 3 subroutine selci_tester(q,h, g, int12, int34, w1, w2, ioconf, argument 23 $ ioconf(nintpo,nconmx),indxci(nconmx),roots(nroot), 42 if(selci_ointer(iconf-1,ioconf,itemp,nintpo)) return 44 if(selci_oeq(ncold-iconf+1,ioconf(1,iconf),itemp,nintpo)) return 54 call selci_mkvc(q, h,g,int12,int34,w1,w2,ioconf,indxci,q(iexv), 122 call selci_icopy(nintpo,itemp,1,ioconf(1,noconf),1)
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