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/dports/misc/rump/buildrump.sh-b914579/src/share/mk/
H A Dbsd.ioconf.mk20 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
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/selci/
H A Diodiff.F19 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 …]
H A Dointer.F3 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))
H A Dmakeh.F17 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),
H A Dorbanal.F3 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)
H A Dselci_select.F75 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),
H A Dmkvc.F3 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),
H A Dslect.F3 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,
H A Drdconf.f3 subroutine selci_rdconf(iflcon,ioconf,indxci,nintpo,noconf) argument
7 integer ioconf(nintpo*noconf),indxci(noconf+1)
11 read (iflcon) ioconf
H A Dpconls.F3 subroutine selci_pconls(ioconf) argument
9 dimension ioconf(nintpo,noconf)
14 call selci_prtcon(ifllog,norbs,ioconf(1,iconf),nintpo,nbitpi)
H A Dprtcon.f3 subroutine selci_prtcon(ifllog, norbs, ioconf, nintpo, nbitpi) argument
7 dimension ioconf(nintpo),iocc(255)
9 call selci_upkcon(norbs, iocc, ioconf, nintpo, nbitpi)
H A Dtester.F3 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)
H A Doeq.f3 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)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/selci/
H A Diodiff.F19 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 …]
H A Dointer.F3 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))
H A Dmakeh.F17 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),
H A Dorbanal.F3 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)
H A Dselci_select.F77 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),
H A Dmkvc.F3 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),
H A Dointer.mod.F1 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))
H A Dslect.F3 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,
H A Drdconf.f3 subroutine selci_rdconf(iflcon,ioconf,indxci,nintpo,noconf) argument
7 integer ioconf(nintpo*noconf),indxci(noconf+1)
11 read (iflcon) ioconf
H A Dpconls.F3 subroutine selci_pconls(ioconf) argument
9 dimension ioconf(nintpo,noconf)
14 call selci_prtcon(ifllog,norbs,ioconf(1,iconf),nintpo,nbitpi)
H A Dprtcon.f3 subroutine selci_prtcon(ifllog, norbs, ioconf, nintpo, nbitpi) argument
7 dimension ioconf(nintpo),iocc(255)
9 call selci_upkcon(norbs, iocc, ioconf, nintpo, nbitpi)
H A Dtester.F3 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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