| /dports/science/nwchem-data/nwchem-7.0.2-release/src/develop/ |
| H A D | rak23.F | 399 do jxyz = 1,3
469 do jxyz = 1,3
482 do jxyz = 1,3
500 do jxyz = 1,3
513 do jxyz = 1,3
531 do jxyz = 1,3
562 do jxyz = 1,3
593 do jxyz = 1,3
624 do jxyz = 1,3
676 do jxyz = 1,3
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/develop/ |
| H A D | rak23.F | 399 do jxyz = 1,3
469 do jxyz = 1,3
482 do jxyz = 1,3
500 do jxyz = 1,3
513 do jxyz = 1,3
531 do jxyz = 1,3
562 do jxyz = 1,3
593 do jxyz = 1,3
624 do jxyz = 1,3
676 do jxyz = 1,3
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/hondo/ |
| H A D | hnd_oechrg.F | 2 & jxyz,jprim,jcoef,j_prim,j_gen,lj, argument
21 double precision jxyz(3),jprim(j_prim),jcoef(j_prim,j_gen) local
41 xj = jxyz(1)
42 yj = jxyz(2)
43 zj = jxyz(3)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/hondo/ |
| H A D | hnd_oechrg.F | 2 & jxyz,jprim,jcoef,j_prim,j_gen,lj,
21 double precision jxyz(3),jprim(j_prim),jcoef(j_prim,j_gen)
41 xj = jxyz(1)
42 yj = jxyz(2)
43 zj = jxyz(3)
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/driver/ |
| H A D | graveyard | 740 do jxyz=1,6
758 do jxyz=1,3
767 do jxyz=4,6
796 do jxyz=1,6
830 proj(ixyz,ncart+1-jxyz)=tr(ixyz,jxyz)
900 hess(ixyz,jxyz)=t(jxyz)
1531 do jxyz=1,6
1549 do jxyz=1,3
1558 do jxyz=4,6
1621 proj(ixyz,ncart+1-jxyz)=tr(ixyz,jxyz)
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/driver/ |
| H A D | graveyard | 740 do jxyz=1,6
758 do jxyz=1,3
767 do jxyz=4,6
796 do jxyz=1,6
830 proj(ixyz,ncart+1-jxyz)=tr(ixyz,jxyz)
900 hess(ixyz,jxyz)=t(jxyz)
1531 do jxyz=1,6
1549 do jxyz=1,3
1558 do jxyz=4,6
1621 proj(ixyz,ncart+1-jxyz)=tr(ixyz,jxyz)
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/stepper/ |
| H A D | read_genr.F | 49 integer icnt, jcnt, iatom, ixyz, jatom, jxyz
57 do 00200 jxyz = 1,3
65 & jatom,labxyz(jxyz),
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/stepper/ |
| H A D | read_genr.F | 49 integer icnt, jcnt, iatom, ixyz, jatom, jxyz
57 do 00200 jxyz = 1,3
65 & jatom,labxyz(jxyz),
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/drdy/ |
| H A D | react2.F | 13 Integer i,ierr,ifreq,ii,indx1,indx2,ip,ixyz,j,jndx1,jndx2,jxyz,
29 do jxyz = 1,3
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/drdy/ |
| H A D | react2.F | 13 Integer i,ierr,ifreq,ii,indx1,indx2,ip,ixyz,j,jndx1,jndx2,jxyz,
29 do jxyz = 1,3
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_issc_utils.F | 456 … INTEGER :: handle, ispin, ixyz, jatom, jxyz, natom, & local
571 DO jxyz = 1, 6
572 CALL cp_fm_trace(fc_psi0(ispin)%matrix, psi1_efg(ispin, jxyz)%matrix, buf)
593 DO jxyz = 1, 3
594 CALL cp_fm_trace(fc_psi0(ispin)%matrix, psi1_pso(ispin, jxyz)%matrix, buf)
596 … issc(ixyz, jxyz, iatom, jatom, 3) = issc(ixyz, jxyz, iatom, jatom, 3) + issc_pso
630 DO jxyz = 1, 3
631 CALL cp_fm_trace(psi1_dso(ispin, jxyz)%matrix, fc_psi0(ispin)%matrix, buf)
635 … issc(ixyz, jxyz, iatom, jatom, 4) = issc(ixyz, jxyz, iatom, jatom, 4) + issc_dso
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_issc_utils.F | 456 … INTEGER :: handle, ispin, ixyz, jatom, jxyz, natom, & local
571 DO jxyz = 1, 6
572 CALL cp_fm_trace(fc_psi0(ispin)%matrix, psi1_efg(ispin, jxyz)%matrix, buf)
593 DO jxyz = 1, 3
594 CALL cp_fm_trace(fc_psi0(ispin)%matrix, psi1_pso(ispin, jxyz)%matrix, buf)
596 … issc(ixyz, jxyz, iatom, jatom, 3) = issc(ixyz, jxyz, iatom, jatom, 3) + issc_pso
630 DO jxyz = 1, 3
631 CALL cp_fm_trace(psi1_dso(ispin, jxyz)%matrix, fc_psi0(ispin)%matrix, buf)
635 … issc(ixyz, jxyz, iatom, jatom, 4) = issc(ixyz, jxyz, iatom, jatom, 4) + issc_dso
|
| /dports/science/octopus/octopus-10.5/src/grid/ |
| H A D | double_grid.F90 | 197 subroutine apply_to_nb(this, mesh, is, ii, jj, kk, jxyz, jxyz_inv, vv, vs) argument
204 integer, intent(in) :: jxyz(:) local
214 ip = jxyz(is)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/texas/ |
| H A D | amshift.F | 520 jxyz=0
522 jxyz=jxyz+1
692 jxyz=0
694 jxyz=jxyz+1
939 jxyz=0
941 jxyz=jxyz+1
1276 jxyz=0
1278 jxyz=jxyz+1
1571 jxyz=jxyz+1
1736 jxyz=jxyz+1
[all …]
|
| H A D | trobsa.F | 632 do 120 jxyz=ixyz,3
633 inp=npxyz(jxyz,in0)
635 * xpa(1,jxyz),xwp(1,jxyz))
673 do 120 jxyz=ixyz,3
674 inp=npxyz(jxyz,in0)
676 * xpa(1,jxyz),xwp(1,jxyz))
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/texas/ |
| H A D | amshift.F | 520 jxyz=0
522 jxyz=jxyz+1
692 jxyz=0
694 jxyz=jxyz+1
939 jxyz=0
941 jxyz=jxyz+1
1276 jxyz=0
1278 jxyz=jxyz+1
1571 jxyz=jxyz+1
1736 jxyz=jxyz+1
[all …]
|
| H A D | trobsa.F | 632 do 120 jxyz=ixyz,3
633 inp=npxyz(jxyz,in0)
635 * xpa(1,jxyz),xwp(1,jxyz))
673 do 120 jxyz=ixyz,3
674 inp=npxyz(jxyz,in0)
676 * xpa(1,jxyz),xwp(1,jxyz))
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/bem/src/ |
| H A D | treecode.c | 692 int i,j,ikp,iknl,ixyz,jxyz,indx; in pb_kernel() local
714 for (jxyz=0;jxyz<3;jxyz++){ in pb_kernel()
717 tchg[i][ikp][indx]=tr_q[3*i+jxyz]; in pb_kernel()
|
| /dports/www/varnish6/varnish-cache-varnish-6.6.2/bin/varnishtest/tests/ |
| H A D | u00000.vtc | 44 shell -err -expect {Unknown jail method "xyz"} "varnishd -jxyz -f '' "
|
| /dports/cad/openroad/OpenROAD-2.0/src/stt/etc/ |
| H A D | POST9.dat | 21690 ]jxyz����ݜ��
21705 \jxyz����ݜ��
21730 [jxyz����ݜ��
21750 [jxyz����ݜ��
21870 ]jxyz����ۜ��
21887 ]jxyz����ۜ��
21912 \jxyz����ۜ��
22153 \jxyz����ۜ��
22171 [jxyz����ۜ��
22200 [jxyz����ۜ��
[all …]
|
| /dports/science/xtb/xtb-6.4.1/src/ |
| H A D | peeq_module.f90 | 1249 integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz local
1483 integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/ |
| H A D | nwxc_vdw3c.F | 677 REAL*8,DIMENSION(3):: jtau,ktau,jxyz,kxyz,ijvec,ikvec,jkvec,dumvec
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/DFT3-OLD/ |
| H A D | nwpwxc_vdw3c.F | 680 REAL*8,DIMENSION(3):: jtau,ktau,jxyz,kxyz,ijvec,ikvec,jkvec,dumvec
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/ |
| H A D | nwxc_vdw3c.F | 677 REAL*8,DIMENSION(3):: jtau,ktau,jxyz,kxyz,ijvec,ikvec,jkvec,dumvec
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/ |
| H A D | nwpwxc_vdw3c.F | 643 REAL*8,DIMENSION(3):: jtau,ktau,jxyz,kxyz,ijvec,ikvec,jkvec,dumvec
|