| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/util/ |
| H A D | ga_lkain_2cpl3.F | 78 & g_xold(2), g_Axold(2), g_Ax_im(2)
226 & g_x_im, g_Ax_im,
597 integer g_r_im(2), g_Ax_im(2)
711 $ 0, 0, g_Ax_im(ipm)))
738 call ga_zero(g_Ax_im(ipm))
833 call ga_print(g_Ax_im(ipm))
881 call ga_print(g_Ax_im(ipm))
960 & -1.0d0,g_Ax_im(ipm),
1112 call ga_print(g_Ax_im(ipm))
1140 call copy_AxxtoAyy(g_Ax,g_Ax_im,
[all …]
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| H A D | ga_lkain_2cpl3_ext.F | 83 & g_xold(ncomp),g_Axold(ncomp),g_Ax_im(ncomp)
274 & g_x_im, g_Ax_im,
513 subroutine copy_AxxtoAyy(g_Ax,g_Ax_im, argument
532 integer g_Ax(ncomp),g_Ax_im(ncomp),
699 & g_Ax(ncomp),g_Ax_im(ncomp)
856 $ 0, 0, g_Ax_im(ipm)))
883 call ga_zero(g_Ax_im(ipm))
937 & g_Ax_im, ! out : product A x_im
999 & -1.0d0,g_Ax_im(ipm),
1072 & g_Ax_im,! in : imaginary arr
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/util/ |
| H A D | ga_lkain_2cpl3.F | 78 & g_xold(2), g_Axold(2), g_Ax_im(2)
226 & g_x_im, g_Ax_im,
597 integer g_r_im(2), g_Ax_im(2)
711 $ 0, 0, g_Ax_im(ipm)))
738 call ga_zero(g_Ax_im(ipm))
833 call ga_print(g_Ax_im(ipm))
881 call ga_print(g_Ax_im(ipm))
960 & -1.0d0,g_Ax_im(ipm),
1112 call ga_print(g_Ax_im(ipm))
1140 call copy_AxxtoAyy(g_Ax,g_Ax_im,
[all …]
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| H A D | ga_lkain_2cpl3_ext.F | 83 & g_xold(ncomp),g_Axold(ncomp),g_Ax_im(ncomp)
274 & g_x_im, g_Ax_im,
513 subroutine copy_AxxtoAyy(g_Ax,g_Ax_im, argument
532 integer g_Ax(ncomp),g_Ax_im(ncomp),
699 & g_Ax(ncomp),g_Ax_im(ncomp)
856 $ 0, 0, g_Ax_im(ipm)))
883 call ga_zero(g_Ax_im(ipm))
937 & g_Ax_im, ! out : product A x_im
999 & -1.0d0,g_Ax_im(ipm),
1072 & g_Ax_im,! in : imaginary arr
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/ |
| H A D | rohf_hessv3_ext.F | 14 & g_Ax_im, argument
93 & g_x_im, g_Ax_im,
125 & g_x_im, g_Ax_im, argument
179 if (lifetime) call ga_zero(g_Ax_im(ipm))
534 integer g_Ax(ncomp), g_Ax_im(ncomp) local
736 $ 0,0,g_Ax_im(ipm)))
755 call getreorim1(g_Ax_im(ipm), ! out : real or im arr
763 call dimqm_addop(g_x, g_x_im, g_Ax, g_Ax_im,
774 & g_Ax_im(ipm), ! in : real arr
786 if (.not. ga_destroy(g_Ax_im(ipm))) call errquit
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| H A D | rohf_hessv3.F | 9 subroutine rohf_hessv3(acc, g_x, g_ax, g_x_im, g_Ax_im, argument
71 $ acc, lshift, g_x, g_ax, g_x_im, g_Ax_im, omega, limag,
102 $ acc, lshift, g_x, g_ax, g_x_im, g_Ax_im, omega, limag,
144 if (lifetime) call ga_zero(g_Ax_im(ipm))
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/ |
| H A D | rohf_hessv3_ext.F | 14 & g_Ax_im,
93 & g_x_im, g_Ax_im,
125 & g_x_im, g_Ax_im,
179 if (lifetime) call ga_zero(g_Ax_im(ipm))
534 integer g_Ax(ncomp), g_Ax_im(ncomp)
736 $ 0,0,g_Ax_im(ipm)))
755 call getreorim1(g_Ax_im(ipm), ! out : real or im arr
763 call dimqm_addop(g_x, g_x_im, g_Ax, g_Ax_im,
774 & g_Ax_im(ipm), ! in : real arr
786 if (.not. ga_destroy(g_Ax_im(ipm))) call errquit
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| H A D | rohf_hessv3.F | 9 subroutine rohf_hessv3(acc, g_x, g_ax, g_x_im, g_Ax_im, argument
71 $ acc, lshift, g_x, g_ax, g_x_im, g_Ax_im, omega, limag,
102 $ acc, lshift, g_x, g_ax, g_x_im, g_Ax_im, omega, limag,
144 if (lifetime) call ga_zero(g_Ax_im(ipm))
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