/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/electron/ |
H A D | psi_Hv4.F | 72 logical pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm,meta_found local 76 external pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm,meta_found 82 dohfx = (pspw_HFX().and.pspw_HFX_relaxed()) 354 logical pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm,meta_found local 364 dohfx = (pspw_HFX().and.pspw_HFX_relaxed()) 587 logical pspw_HFX,pspw_HFX_relaxed local 590 external pspw_HFX,pspw_HFX_relaxed 594 dohfx = pspw_HFX().and.pspw_HFX_relaxed().and.hfxon 757 logical pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm local 760 external pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm [all …]
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H A D | psi_H.F | 68 logical pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm,meta_found local 72 external pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm,meta_found 82 dohfx = (pspw_HFX().and.pspw_HFX_relaxed()) 329 logical pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm,meta_found local 338 dohfx = (pspw_HFX().and.pspw_HFX_relaxed()) 561 logical pspw_HFX,pspw_HFX_relaxed local 564 external pspw_HFX,pspw_HFX_relaxed 568 dohfx = pspw_HFX().and.pspw_HFX_relaxed().and.hfxon 732 logical pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm local 735 external pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm [all …]
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H A D | electron.F | 391 logical pspw_HFX,pspw_HFX_relaxed,meta_found,nwpw_meta_gga_on local 398 external pspw_HFX,pspw_HFX_relaxed,meta_found,nwpw_meta_gga_on 537 if (pspw_HFX_relaxed()) then 1098 logical pspw_HFX_relaxed local 1099 external pspw_HFX_relaxed 1101 if (.not.pspw_HFX_relaxed()) then
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/electron/ |
H A D | psi_H.F | 68 logical pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm,meta_found 72 external pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm,meta_found 78 dohfx = (pspw_HFX().and.pspw_HFX_relaxed()) 317 logical pspw_HFX,pspw_HFX_relaxed 320 external pspw_HFX,pspw_HFX_relaxed 324 dohfx = pspw_HFX().and.pspw_HFX_relaxed().and.hfxon 487 logical pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm 490 external pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm 494 dohfx = pspw_HFX().and.pspw_HFX_relaxed().and.hfxon
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H A D | psi_Hv4.F | 72 logical pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm,meta_found 76 external pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm,meta_found 82 dohfx = (pspw_HFX().and.pspw_HFX_relaxed()) 353 logical pspw_HFX,pspw_HFX_relaxed 356 external pspw_HFX,pspw_HFX_relaxed 360 dohfx = pspw_HFX().and.pspw_HFX_relaxed().and.hfxon 523 logical pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm 526 external pspw_HFX,pspw_HFX_relaxed,psp_U_psputerm 530 dohfx = pspw_HFX().and.pspw_HFX_relaxed().and.hfxon
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H A D | electron.F | 349 logical pspw_HFX,pspw_HFX_relaxed,meta_found,nwpw_meta_gga_on 356 external pspw_HFX,pspw_HFX_relaxed,meta_found,nwpw_meta_gga_on 489 if (pspw_HFX_relaxed()) then 954 logical pspw_HFX_relaxed local 955 external pspw_HFX_relaxed 957 if (.not.pspw_HFX_relaxed()) then
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/lib/electron/ |
H A D | chi_Hv4.F | 70 logical pspw_HFX,pspw_HFX_relaxed local 73 external pspw_HFX,pspw_HFX_relaxed
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/lib/electron/ |
H A D | chi_Hv4.F | 70 logical pspw_HFX,pspw_HFX_relaxed 73 external pspw_HFX,pspw_HFX_relaxed
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/ |
H A D | bybminimize2.F | 102 logical pspw_HFX_relaxed,psp_U_psputerm,meta_found 105 external pspw_HFX_relaxed,psp_U_psputerm,meta_found 124 dohfx = (pspw_HFX().and.pspw_HFX_relaxed())
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
H A D | bybminimize2.F | 122 logical pspw_HFX_relaxed,psp_U_psputerm,meta_found local 125 external pspw_HFX_relaxed,psp_U_psputerm,meta_found 156 dohfx = (pspw_HFX().and.pspw_HFX_relaxed())
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
H A D | inner_loop_qmmm_step.F | 88 logical pspw_HFX,pspw_HFX_relaxed local 90 external pspw_HFX,pspw_HFX_relaxed 623 if (pspw_HFX_relaxed()) then
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H A D | inner_loop_cprmd.F | 104 logical pspw_HFX,pspw_HFX_relaxed local 106 external pspw_HFX,pspw_HFX_relaxed 624 if (pspw_HFX_relaxed()) then
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H A D | inner_loop.F | 99 logical pspw_HFX,pspw_HFX_relaxed local 105 external pspw_HFX,pspw_HFX_relaxed 955 if (pspw_HFX_relaxed()) then
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H A D | inner_loop_md.F | 146 logical pspw_HFX,pspw_HFX_relaxed local 148 external pspw_HFX,pspw_HFX_relaxed 1010 if (pspw_HFX_relaxed()) then
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/ |
H A D | inner_loop_qmmm_step.F | 88 logical pspw_HFX,pspw_HFX_relaxed 90 external pspw_HFX,pspw_HFX_relaxed 623 if (pspw_HFX_relaxed()) then
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H A D | inner_loop_cprmd.F | 104 logical pspw_HFX,pspw_HFX_relaxed 106 external pspw_HFX,pspw_HFX_relaxed 624 if (pspw_HFX_relaxed()) then
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H A D | inner_loop.F | 96 logical pspw_HFX,pspw_HFX_relaxed 102 external pspw_HFX,pspw_HFX_relaxed 816 if (pspw_HFX_relaxed()) then
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H A D | inner_loop_md.F | 123 logical pspw_HFX,pspw_HFX_relaxed 125 external pspw_HFX,pspw_HFX_relaxed 842 if (pspw_HFX_relaxed()) then
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H A D | cpsdv5.F | 159 logical pspw_HFX,pspw_HFX_relaxed,psp_pawexist 163 external pspw_HFX,pspw_HFX_relaxed,psp_pawexist 936 if (pspw_HFX().and.pspw_HFX_relaxed()) then
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/cpsd/ |
H A D | inner_loop_ofpw.F | 78 logical pspw_HFX,pspw_HFX_relaxed local 84 external pspw_HFX,pspw_HFX_relaxed
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H A D | ofpwsd.F | 122 logical pspw_HFX,pspw_HFX_relaxed local 126 external pspw_HFX,pspw_HFX_relaxed
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/cpsd/ |
H A D | inner_loop_ofpw.F | 78 logical pspw_HFX,pspw_HFX_relaxed 84 external pspw_HFX,pspw_HFX_relaxed
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H A D | ofpwsd.F | 122 logical pspw_HFX,pspw_HFX_relaxed 126 external pspw_HFX,pspw_HFX_relaxed
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/cpsd/ |
H A D | band_inner_loop_md.F | 71 logical pspw_HFX,pspw_HFX_relaxed 77 external pspw_HFX,pspw_HFX_relaxed
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/cpsd/ |
H A D | band_inner_loop_md.F | 71 logical pspw_HFX,pspw_HFX_relaxed 77 external pspw_HFX,pspw_HFX_relaxed
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