Searched refs:edd0c (Results 1 – 6 of 6) sorted by relevance
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/exchange-correlation/ |
H A D | vs98.f | 316 real*8 edd0c,dedd0c_dndn 495 call gen_PW91_c_rz(tol,rs,1.0d0,edd0c,dedd0c_drs,dummy) 533 ednc = edd0c*GG*D 535 & + ndn*edd0c*(dGdx*dxdn_dndn+dGdz*dzdn_dndn)*D 536 & + ndn*edd0c*GG*dD_dn 537 fdndnc = ndn*edd0c*(dGdx*dxdn_dagrdn*D + GG*dD_dagr) 538 fdtaudnc = ndn*edd0c*(dGdz*dzdn_dtaudn*D + GG*dD_dtau) 550 eud1c = eud0c - (euu0c*nup + edd0c*ndn)/n 556 & + deud0c_dzeta*dzeta_dndn) - edd0c
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H A D | m06_xc.f | 251 real*8 edd0c,dedd0c_dndn local 273 > edd0c,dedd0c_dndn, 278 eud1c = eud0c - (euu0c*nup + edd0c*ndn)/n 298 & + deud0c_dzeta*dzeta_dndn) - edd0c
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H A D | m06-l.f | 459 real*8 edd0c,dedd0c_dndn 864 call gen_PW91_c_rz(tol,rs,1.0d0,edd0c,dedd0c_drs,dummy) 925 ednc = edd0c*ghss*D 927 & + ndn*edd0c*dgh_dn*D 928 & + ndn*edd0c*ghss*dD_dn 929 fdndnc = ndn*edd0c*(dgh_dagr*D + ghss*dD_dagr) 930 fdtaudnc = ndn*edd0c*(dgh_dtau*D + ghss*dD_dtau) 942 eud1c = eud0c - (euu0c*nup + edd0c*ndn)/n 948 & + deud0c_dzeta*dzeta_dndn) - edd0c
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H A D | m06.f | 459 real*8 edd0c,dedd0c_dndn local 871 call gen_PW91_c_rz(tol,rs,1.0d0,edd0c,dedd0c_drs,dummy) 932 ednc = edd0c*ghss*D 934 & + ndn*edd0c*dgh_dn*D 935 & + ndn*edd0c*ghss*dD_dn 936 fdndnc = ndn*edd0c*(dgh_dagr*D + ghss*dD_dagr) 937 fdtaudnc = ndn*edd0c*(dgh_dtau*D + ghss*dD_dtau) 949 eud1c = eud0c - (euu0c*nup + edd0c*ndn)/n 955 & + deud0c_dzeta*dzeta_dndn) - edd0c
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H A D | vs98.f.1-1-2020 | 270 real*8 edd0c,dedd0c_dndn 305 > edd0c,dedd0c_dndn, 318 eud1c = eud0c - (euu0c*nup + edd0c*ndn)/n 336 & + deud0c_dzeta*dzeta_dndn) - edd0c - ndn*dedd0c_dndn
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/exchange-correlation/ |
H A D | vs98.f | 374 real*8 edd0c,dedd0c_dndn 543 > edd0c,dedd0c_dndn, 563 eud1c = eud0c - (euu0c*nup + edd0c*ndn)/n 588 & + deud0c_dzeta*dzeta_dndn) - edd0c - ndn*dedd0c_dndn
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