/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/electron/ |
H A D | psi_Hv4.F | 71 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
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H A D | psi_H.F | 67 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
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H A D | electron.F | 390 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
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/electron/ |
H A D | psi_H.F | 67 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
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H A D | psi_Hv4.F | 71 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
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H A D | electron.F | 348 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
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/lib/electron/ |
H A D | chi_Hv4.F | 69 logical pspw_SIC,pspw_SIC_relaxed local 72 external pspw_SIC,pspw_SIC_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 | 69 logical pspw_SIC,pspw_SIC_relaxed 72 external pspw_SIC,pspw_SIC_relaxed
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
H A D | inner_loop_qmmm_step.F | 87 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
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H A D | inner_loop_cprmd.F | 103 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
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H A D | inner_loop.F | 98 logical pspw_SIC,pspw_SIC_relaxed local 104 external pspw_SIC,pspw_SIC_relaxed 943 if (pspw_SIC_relaxed()) then
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H A D | inner_loop_md.F | 145 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
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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 | 87 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
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H A D | inner_loop_cprmd.F | 103 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
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H A D | inner_loop.F | 95 logical pspw_SIC,pspw_SIC_relaxed 101 external pspw_SIC,pspw_SIC_relaxed 804 if (pspw_SIC_relaxed()) then
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H A D | inner_loop_md.F | 122 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
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H A D | cpsdv5.F | 158 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
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/cpsd/ |
H A D | inner_loop_ofpw.F | 77 logical pspw_SIC,pspw_SIC_relaxed local 83 external pspw_SIC,pspw_SIC_relaxed
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H A D | ofpwsd.F | 121 logical pspw_SIC,pspw_SIC_relaxed,pspw_qmmm_found local 125 external pspw_SIC,pspw_SIC_relaxed,pspw_qmmm_found
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/cpsd/ |
H A D | band_inner_loop.F | 61 logical pspw_SIC,pspw_SIC_relaxed 67 external pspw_SIC,pspw_SIC_relaxed
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H A D | band_inner_loop_md.F | 70 logical pspw_SIC,pspw_SIC_relaxed,control_Fei 76 external pspw_SIC,pspw_SIC_relaxed,control_Fei
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/cpsd/ |
H A D | band_inner_loop.F | 61 logical pspw_SIC,pspw_SIC_relaxed 67 external pspw_SIC,pspw_SIC_relaxed
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H A D | band_inner_loop_md.F | 70 logical pspw_SIC,pspw_SIC_relaxed,control_Fei 76 external pspw_SIC,pspw_SIC_relaxed,control_Fei
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/cpsd/ |
H A D | inner_loop_ofpw.F | 77 logical pspw_SIC,pspw_SIC_relaxed 83 external pspw_SIC,pspw_SIC_relaxed
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H A D | ofpwsd.F | 121 logical pspw_SIC,pspw_SIC_relaxed,pspw_qmmm_found 125 external pspw_SIC,pspw_SIC_relaxed,pspw_qmmm_found
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