Searched refs:dw1dzeta (Results 1 – 9 of 9) sorted by relevance
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/ |
H A D | xc_cr2scan.F | 79 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
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H A D | xc_cscan.F | 99 double precision w1fac,expw1,w1,dw1drs,dw1dzeta 366 dw1dzeta = (3d0*w1fac*dphidzeta/phi - 368 dAdzeta = -A*dw1dzeta/w1 369 darg1dzeta = dw1dzeta*(1d0 - Gat2) +
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H A D | xc_cr2scanl.F | 81 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
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H A D | xc_cscanl.F | 91 double precision w1fac,expw1,w1,dw1drs,dw1dzeta 372 dw1dzeta = (3d0*w1fac*dphidzeta/phi - 374 dAdzeta = -A*dw1dzeta/w1 375 darg1dzeta = dw1dzeta*(1d0 - Gat2) +
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/ |
H A D | nwpwxc_c_scan.F | 97 double precision w1fac,expw1,w1,dw1drs,dw1dzeta 321 dw1dzeta = (3d0*w1fac*dphidzeta/phi - 323 dAdzeta = -A*dw1dzeta/w1 324 darg1dzeta = dw1dzeta*(1d0 - Gat2) +
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/ |
H A D | nwpwxc_c_scan.F | 97 double precision w1fac,expw1,w1,dw1drs,dw1dzeta 321 dw1dzeta = (3d0*w1fac*dphidzeta/phi - 323 dAdzeta = -A*dw1dzeta/w1 324 darg1dzeta = dw1dzeta*(1d0 - Gat2) +
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/ |
H A D | xc_cscan.F | 95 double precision w1fac,expw1,w1,dw1drs,dw1dzeta 362 dw1dzeta = (3d0*w1fac*dphidzeta/phi - 364 dAdzeta = -A*dw1dzeta/w1 365 darg1dzeta = dw1dzeta*(1d0 - Gat2) +
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H A D | xc_cscanl.F | 91 double precision w1fac,expw1,w1,dw1drs,dw1dzeta 372 dw1dzeta = (3d0*w1fac*dphidzeta/phi - 374 dAdzeta = -A*dw1dzeta/w1 375 darg1dzeta = dw1dzeta*(1d0 - Gat2) +
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/dports/science/qbox/qbox-public-rel1_73_3/src/ |
H A D | SCANFunctional.cpp | 541 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()
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