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Searched refs:dFxdr (Results 1 – 11 of 11) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/
H A Dxc_xmvs15.F127 double precision Fx, dFxdp, dFxdz, dFxdr, dFxdg, dFxdt
218 dFxdr = dFxdz * dzdr + dFxdp * dpdr
222 derivr = F43*Ax*rho13*Fx + Ax*rho43*dFxdr
H A Dxc_xr2scan.F138 double precision dFxda, dFxdp, dFxdr, dFxdg, dFxdt
275 dFxdr = dFxda*dadr + dFxdp*dpdr
279 derivr = F43*Ax*rho13*Fx + Ax*rho43*dFxdr
H A Dxc_xr2scanl.F142 double precision dFxda, dFxdp, dFxdr, dFxdg, dFxdl
288 dFxdr = dFxda*(dadp*dpdr + dadq*dqdr) + dFxdp*dpdr
292 derivr = F43*Ax*rho13*Fx + Ax*rho43*dFxdr
H A Dxc_xscanl.F152 double precision dFxda, dFxdp, dFxdr, dFxdg, dFxdl
287 dFxdr = dFxda*(dadp*dpdr + dadq*dqdr) + dFxdp*dpdr
291 derivr = F43*Ax*rho13*Fx + Ax*rho43*dFxdr
H A Dxc_xscan.F158 double precision dFxda, dFxdp, dFxdr, dFxdg, dFxdt
336 dFxdr = dFxda*dadr + dFxdp*dpdr
340 derivr = F43*Ax*rho13*Fx + Ax*rho43*dFxdr
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/
H A Dxc_xmvs15.F127 double precision Fx, dFxdp, dFxdz, dFxdr, dFxdg, dFxdt
218 dFxdr = dFxdz * dzdr + dFxdp * dpdr
222 derivr = F43*Ax*rho13*Fx + Ax*rho43*dFxdr
H A Dxc_xscanl.F152 double precision dFxda, dFxdp, dFxdr, dFxdg, dFxdl
287 dFxdr = dFxda*(dadp*dpdr + dadq*dqdr) + dFxdp*dpdr
291 derivr = F43*Ax*rho13*Fx + Ax*rho43*dFxdr
H A Dxc_xscan.F154 double precision dFxda, dFxdp, dFxdr, dFxdg, dFxdt
332 dFxdr = dFxda*dadr + dFxdp*dpdr
336 derivr = F43*Ax*rho13*Fx + Ax*rho43*dFxdr
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_x_scan.F158 double precision dFxda, dFxdp, dFxdr, dFxdg, dFxdt
286 dFxdr = dFxda*dadr + dFxdp*dpdr
290 derivr = F43*Ax*rho13*Fx + Ax*rho43*dFxdr
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_x_scan.F158 double precision dFxda, dFxdp, dFxdr, dFxdg, dFxdt
286 dFxdr = dFxda*dadr + dFxdp*dpdr
290 derivr = F43*Ax*rho13*Fx + Ax*rho43*dFxdr
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dexchange_gga.f90873 REAL*8 rho,s,alpha_gau,Fx,dFxdr,dFxds local
948 dFxdr = d1Kxdr * Nx + Kx * d1Nxdr