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Searched refs:pspw_SIC_relaxed (Results 1 – 25 of 32) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/electron/
H A Dpsi_Hv4.F71 logical pspw_SIC,pspw_SIC_relaxed,D3dB_rc_pfft3_queue_filled local
75 external pspw_SIC,pspw_SIC_relaxed,D3dB_rc_pfft3_queue_filled
81 dosic = (pspw_SIC().and.pspw_SIC_relaxed())
353 logical pspw_SIC,pspw_SIC_relaxed,D3dB_rc_pfft3_queue_filled local
357 external pspw_SIC,pspw_SIC_relaxed,D3dB_rc_pfft3_queue_filled
363 dosic = (pspw_SIC().and.pspw_SIC_relaxed())
586 logical pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on local
589 external pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on
756 logical pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on local
759 external pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on
H A Dpsi_H.F67 logical pspw_SIC,pspw_SIC_relaxed,D3dB_rc_pfft3_queue_filled local
71 external pspw_SIC,pspw_SIC_relaxed,D3dB_rc_pfft3_queue_filled
81 dosic = (pspw_SIC().and.pspw_SIC_relaxed())
328 logical pspw_SIC,pspw_SIC_relaxed,D3dB_rc_pfft3_queue_filled local
332 external pspw_SIC,pspw_SIC_relaxed,D3dB_rc_pfft3_queue_filled
337 dosic = (pspw_SIC().and.pspw_SIC_relaxed())
560 logical pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on local
563 external pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on
731 logical pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on local
734 external pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on
H A Delectron.F390 logical pspw_SIC,pspw_SIC_relaxed,psp_U_psputerm,psp_pawexist local
397 external pspw_SIC,pspw_SIC_relaxed,psp_U_psputerm,psp_pawexist
525 if (pspw_SIC_relaxed()) then
1026 logical pspw_SIC_relaxed local
1027 external pspw_SIC_relaxed
1029 if (.not.pspw_SIC_relaxed()) then
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/electron/
H A Dpsi_H.F67 logical pspw_SIC,pspw_SIC_relaxed,D3dB_rc_pfft3_queue_filled
71 external pspw_SIC,pspw_SIC_relaxed,D3dB_rc_pfft3_queue_filled
77 dosic = (pspw_SIC().and.pspw_SIC_relaxed())
316 logical pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on
319 external pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on
486 logical pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on
489 external pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on
H A Dpsi_Hv4.F71 logical pspw_SIC,pspw_SIC_relaxed,D3dB_rc_pfft3_queue_filled
75 external pspw_SIC,pspw_SIC_relaxed,D3dB_rc_pfft3_queue_filled
81 dosic = (pspw_SIC().and.pspw_SIC_relaxed())
352 logical pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on
355 external pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on
522 logical pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on
525 external pspw_SIC,pspw_SIC_relaxed,nwpw_meta_gga_on
H A Delectron.F348 logical pspw_SIC,pspw_SIC_relaxed,psp_U_psputerm,psp_pawexist
355 external pspw_SIC,pspw_SIC_relaxed,psp_U_psputerm,psp_pawexist
477 if (pspw_SIC_relaxed()) then
882 logical pspw_SIC_relaxed local
883 external pspw_SIC_relaxed
885 if (.not.pspw_SIC_relaxed()) then
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/lib/electron/
H A Dchi_Hv4.F69 logical pspw_SIC,pspw_SIC_relaxed local
72 external pspw_SIC,pspw_SIC_relaxed
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/lib/electron/
H A Dchi_Hv4.F69 logical pspw_SIC,pspw_SIC_relaxed
72 external pspw_SIC,pspw_SIC_relaxed
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/
H A Dinner_loop_qmmm_step.F87 logical pspw_SIC,pspw_SIC_relaxed,control_allow_translation local
89 external pspw_SIC,pspw_SIC_relaxed,control_allow_translation
611 if (pspw_SIC_relaxed()) then
H A Dinner_loop_cprmd.F103 logical pspw_SIC,pspw_SIC_relaxed,control_allow_translation local
105 external pspw_SIC,pspw_SIC_relaxed,control_allow_translation
612 if (pspw_SIC_relaxed()) then
H A Dinner_loop.F98 logical pspw_SIC,pspw_SIC_relaxed local
104 external pspw_SIC,pspw_SIC_relaxed
943 if (pspw_SIC_relaxed()) then
H A Dinner_loop_md.F145 logical pspw_SIC,pspw_SIC_relaxed,control_allow_translation local
147 external pspw_SIC,pspw_SIC_relaxed,control_allow_translation
998 if (pspw_SIC_relaxed()) then
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/
H A Dinner_loop_qmmm_step.F87 logical pspw_SIC,pspw_SIC_relaxed,control_allow_translation
89 external pspw_SIC,pspw_SIC_relaxed,control_allow_translation
611 if (pspw_SIC_relaxed()) then
H A Dinner_loop_cprmd.F103 logical pspw_SIC,pspw_SIC_relaxed,control_allow_translation
105 external pspw_SIC,pspw_SIC_relaxed,control_allow_translation
612 if (pspw_SIC_relaxed()) then
H A Dinner_loop.F95 logical pspw_SIC,pspw_SIC_relaxed
101 external pspw_SIC,pspw_SIC_relaxed
804 if (pspw_SIC_relaxed()) then
H A Dinner_loop_md.F122 logical pspw_SIC,pspw_SIC_relaxed,control_allow_translation
124 external pspw_SIC,pspw_SIC_relaxed,control_allow_translation
830 if (pspw_SIC_relaxed()) then
H A Dcpsdv5.F158 logical pspw_SIC,pspw_SIC_relaxed,pspw_qmmm_found
162 external pspw_SIC,pspw_SIC_relaxed,pspw_qmmm_found
932 if (pspw_SIC().and.pspw_SIC_relaxed()) then
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/cpsd/
H A Dinner_loop_ofpw.F77 logical pspw_SIC,pspw_SIC_relaxed local
83 external pspw_SIC,pspw_SIC_relaxed
H A Dofpwsd.F121 logical pspw_SIC,pspw_SIC_relaxed,pspw_qmmm_found local
125 external pspw_SIC,pspw_SIC_relaxed,pspw_qmmm_found
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/cpsd/
H A Dband_inner_loop.F61 logical pspw_SIC,pspw_SIC_relaxed
67 external pspw_SIC,pspw_SIC_relaxed
H A Dband_inner_loop_md.F70 logical pspw_SIC,pspw_SIC_relaxed,control_Fei
76 external pspw_SIC,pspw_SIC_relaxed,control_Fei
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/cpsd/
H A Dband_inner_loop.F61 logical pspw_SIC,pspw_SIC_relaxed
67 external pspw_SIC,pspw_SIC_relaxed
H A Dband_inner_loop_md.F70 logical pspw_SIC,pspw_SIC_relaxed,control_Fei
76 external pspw_SIC,pspw_SIC_relaxed,control_Fei
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/cpsd/
H A Dinner_loop_ofpw.F77 logical pspw_SIC,pspw_SIC_relaxed
83 external pspw_SIC,pspw_SIC_relaxed
H A Dofpwsd.F121 logical pspw_SIC,pspw_SIC_relaxed,pspw_qmmm_found
125 external pspw_SIC,pspw_SIC_relaxed,pspw_qmmm_found

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