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Searched refs:dw1drs (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
267 dw1drs = -expw1*declda1drs/(GAMMA*phi3)
270 dAdrs = dBETAdrs/GAMMA/w1 - A*dw1drs/w1
278 ddeltaYpdrs = -deltaYp/w1*dw1drs +
291 darg1drs = dw1drs*(1d0 - GAt2y) - w1*dGat2ydrs
H A Dxc_cscan.F99 double precision w1fac,expw1,w1,dw1drs,dw1dzeta
205 dw1drs = -expw1*depscdrs/(GAMMA*phi3)
208 dAdrs = dBETAdrs/GAMMA/w1 - A*dw1drs/w1
219 darg1drs = dw1drs*(1d0 - GAt2) +
H A Dxc_cr2scanl.F81 double precision w1fac,expw1,w1,dw1drs,dw1dzeta
321 dw1drs = -expw1*declda1drs/(GAMMA*phi3)
324 dAdrs = dBETAdrs/GAMMA/w1 - A*dw1drs/w1
332 ddeltaYpdrs = -deltaYp/w1*dw1drs +
345 darg1drs = dw1drs*(1d0 - GAt2y) - w1*dGat2ydrs
H A Dxc_cscanl.F91 double precision w1fac,expw1,w1,dw1drs,dw1dzeta
236 dw1drs = -expw1*depscdrs/(GAMMA*phi3)
239 dAdrs = dBETAdrs/GAMMA/w1 - A*dw1drs/w1
250 darg1drs = dw1drs*(1d0 - GAt2) +
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_c_scan.F97 double precision w1fac,expw1,w1,dw1drs,dw1dzeta
192 dw1drs = -expw1*depscdrs/(GAMMA*phi3)
195 dAdrs = dBETAdrs/GAMMA/w1 - A*dw1drs/w1
206 darg1drs = dw1drs*(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
192 dw1drs = -expw1*depscdrs/(GAMMA*phi3)
195 dAdrs = dBETAdrs/GAMMA/w1 - A*dw1drs/w1
206 darg1drs = dw1drs*(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
201 dw1drs = -expw1*depscdrs/(GAMMA*phi3)
204 dAdrs = dBETAdrs/GAMMA/w1 - A*dw1drs/w1
215 darg1drs = dw1drs*(1d0 - GAt2) +
H A Dxc_cscanl.F91 double precision w1fac,expw1,w1,dw1drs,dw1dzeta
236 dw1drs = -expw1*depscdrs/(GAMMA*phi3)
239 dAdrs = dBETAdrs/GAMMA/w1 - A*dw1drs/w1
250 darg1drs = dw1drs*(1d0 - GAt2) +
/dports/science/qbox/qbox-public-rel1_73_3/src/
H A DSCANFunctional.cpp229 double dec0drs, dw0drs, dbeta1drs, dw1drs, dA1drs, dt1drs, dH1drs, dec1drs; in excSCAN() local
389 dw1drs = - 1.0 * (1.0 + w1) * decLSDAdrs / gamma; in excSCAN()
390 dA1drs = dbeta1drs / (gamma * w1) - beta1 * dw1drs / (gamma * w1 * w1); in excSCAN()
393 dH1drs = (1.0 - g1) * gamma / (1.0 + w1 * (1.0 - g1)) * dw1drs + w1 * gamma / in excSCAN()
535 double dw0drs, dbeta1drs, dw1drs, dA1drs, dt1drs, dH1drs; in excSCAN_sp() local
867 dw1drs = - 1.0 * (1.0 + w1) * decLSDAdrs / (gamma * phi3); in excSCAN_sp()
868 dA1drs = dbeta1drs / (gamma * w1) - beta1 * dw1drs / (gamma * w1 * w1); in excSCAN_sp()
871 dH1drs = (1.0 - g1) * gamma * phi3 * dw1drs / (1.0 + w1 * (1.0 - g1)) + in excSCAN_sp()