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Searched refs:pspw_HFX_relaxed (Results 1 – 25 of 34) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/electron/
H A Dpsi_Hv4.F72 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 …]
H A Dpsi_H.F68 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 …]
H A Delectron.F391 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
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/electron/
H A Dpsi_H.F68 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
H A Dpsi_Hv4.F72 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
H A Delectron.F349 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
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/lib/electron/
H A Dchi_Hv4.F70 logical pspw_HFX,pspw_HFX_relaxed local
73 external pspw_HFX,pspw_HFX_relaxed
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/lib/electron/
H A Dchi_Hv4.F70 logical pspw_HFX,pspw_HFX_relaxed
73 external pspw_HFX,pspw_HFX_relaxed
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/
H A Dbybminimize2.F102 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())
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/
H A Dbybminimize2.F122 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())
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/
H A Dinner_loop_qmmm_step.F88 logical pspw_HFX,pspw_HFX_relaxed local
90 external pspw_HFX,pspw_HFX_relaxed
623 if (pspw_HFX_relaxed()) then
H A Dinner_loop_cprmd.F104 logical pspw_HFX,pspw_HFX_relaxed local
106 external pspw_HFX,pspw_HFX_relaxed
624 if (pspw_HFX_relaxed()) then
H A Dinner_loop.F99 logical pspw_HFX,pspw_HFX_relaxed local
105 external pspw_HFX,pspw_HFX_relaxed
955 if (pspw_HFX_relaxed()) then
H A Dinner_loop_md.F146 logical pspw_HFX,pspw_HFX_relaxed local
148 external pspw_HFX,pspw_HFX_relaxed
1010 if (pspw_HFX_relaxed()) then
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/
H A Dinner_loop_qmmm_step.F88 logical pspw_HFX,pspw_HFX_relaxed
90 external pspw_HFX,pspw_HFX_relaxed
623 if (pspw_HFX_relaxed()) then
H A Dinner_loop_cprmd.F104 logical pspw_HFX,pspw_HFX_relaxed
106 external pspw_HFX,pspw_HFX_relaxed
624 if (pspw_HFX_relaxed()) then
H A Dinner_loop.F96 logical pspw_HFX,pspw_HFX_relaxed
102 external pspw_HFX,pspw_HFX_relaxed
816 if (pspw_HFX_relaxed()) then
H A Dinner_loop_md.F123 logical pspw_HFX,pspw_HFX_relaxed
125 external pspw_HFX,pspw_HFX_relaxed
842 if (pspw_HFX_relaxed()) then
H A Dcpsdv5.F159 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
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/cpsd/
H A Dinner_loop_ofpw.F78 logical pspw_HFX,pspw_HFX_relaxed local
84 external pspw_HFX,pspw_HFX_relaxed
H A Dofpwsd.F122 logical pspw_HFX,pspw_HFX_relaxed local
126 external pspw_HFX,pspw_HFX_relaxed
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/cpsd/
H A Dinner_loop_ofpw.F78 logical pspw_HFX,pspw_HFX_relaxed
84 external pspw_HFX,pspw_HFX_relaxed
H A Dofpwsd.F122 logical pspw_HFX,pspw_HFX_relaxed
126 external pspw_HFX,pspw_HFX_relaxed
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/cpsd/
H A Dband_inner_loop_md.F71 logical pspw_HFX,pspw_HFX_relaxed
77 external pspw_HFX,pspw_HFX_relaxed
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/cpsd/
H A Dband_inner_loop_md.F71 logical pspw_HFX,pspw_HFX_relaxed
77 external pspw_HFX,pspw_HFX_relaxed

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