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Searched refs:edd0c (Results 1 – 6 of 6) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/exchange-correlation/
H A Dvs98.f316 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
H A Dm06_xc.f251 real*8 edd0c,dedd0c_dndn local
273 > edd0c,dedd0c_dndn,
278 eud1c = eud0c - (euu0c*nup + edd0c*ndn)/n
298 & + deud0c_dzeta*dzeta_dndn) - edd0c
H A Dm06-l.f459 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
H A Dm06.f459 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
H A Dvs98.f.1-1-2020270 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
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/exchange-correlation/
H A Dvs98.f374 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