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Searched refs:dw1dzeta (Results 1 – 9 of 9) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/
H A Dxc_cr2scan.F79 double precision w1fac,expw1,w1,dw1drs,dw1dzeta
369 dw1dzeta = (3d0*w1fac*dphidzeta/phi -
371 dAdzeta = -A*dw1dzeta/w1
374 ddeltaYpdz = -deltaYp/w1*dw1dzeta - deltaYp/ds*ddsdzeta -
381 darg1dzeta = dw1dzeta*(1d0-GAt2y) - w1*dGAt2ydz
H A Dxc_cscan.F99 double precision w1fac,expw1,w1,dw1drs,dw1dzeta
366 dw1dzeta = (3d0*w1fac*dphidzeta/phi -
368 dAdzeta = -A*dw1dzeta/w1
369 darg1dzeta = dw1dzeta*(1d0 - Gat2) +
H A Dxc_cr2scanl.F81 double precision w1fac,expw1,w1,dw1drs,dw1dzeta
425 dw1dzeta = (3d0*w1fac*dphidzeta/phi -
427 dAdzeta = -A*dw1dzeta/w1
430 ddeltaYpdz = -deltaYp/w1*dw1dzeta - deltaYp/ds*ddsdzeta -
437 darg1dzeta = dw1dzeta*(1d0-GAt2y) - w1*dGAt2ydz
H A Dxc_cscanl.F91 double precision w1fac,expw1,w1,dw1drs,dw1dzeta
372 dw1dzeta = (3d0*w1fac*dphidzeta/phi -
374 dAdzeta = -A*dw1dzeta/w1
375 darg1dzeta = dw1dzeta*(1d0 - Gat2) +
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_c_scan.F97 double precision w1fac,expw1,w1,dw1drs,dw1dzeta
321 dw1dzeta = (3d0*w1fac*dphidzeta/phi -
323 dAdzeta = -A*dw1dzeta/w1
324 darg1dzeta = dw1dzeta*(1d0 - Gat2) +
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_c_scan.F97 double precision w1fac,expw1,w1,dw1drs,dw1dzeta
321 dw1dzeta = (3d0*w1fac*dphidzeta/phi -
323 dAdzeta = -A*dw1dzeta/w1
324 darg1dzeta = dw1dzeta*(1d0 - Gat2) +
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/
H A Dxc_cscan.F95 double precision w1fac,expw1,w1,dw1drs,dw1dzeta
362 dw1dzeta = (3d0*w1fac*dphidzeta/phi -
364 dAdzeta = -A*dw1dzeta/w1
365 darg1dzeta = dw1dzeta*(1d0 - Gat2) +
H A Dxc_cscanl.F91 double precision w1fac,expw1,w1,dw1drs,dw1dzeta
372 dw1dzeta = (3d0*w1fac*dphidzeta/phi -
374 dAdzeta = -A*dw1dzeta/w1
375 darg1dzeta = dw1dzeta*(1d0 - Gat2) +
/dports/science/qbox/qbox-public-rel1_73_3/src/
H A DSCANFunctional.cpp541 double dalphadzeta, dDxdzeta, dFdzeta, dw1dzeta, decLSDAdzeta, in excSCAN_sp() local
913 dw1dzeta = (-decLSDAdzeta / (gamma * phi3) + ((3.0 * ecLSDA * dphidzeta) / in excSCAN_sp()
917 dAdzeta = (-beta1 * dw1dzeta)/(gamma * w1 * w1); in excSCAN_sp()
921 dH1dzeta = 3.0 * dphidzeta * H1 / phi + (gamma * phi3 * (dw1dzeta * in excSCAN_sp()