Searched refs:dw1drs (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 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
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H A D | xc_cscan.F | 99 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) +
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H A D | xc_cr2scanl.F | 81 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
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H A D | xc_cscanl.F | 91 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) +
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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 192 dw1drs = -expw1*depscdrs/(GAMMA*phi3) 195 dAdrs = dBETAdrs/GAMMA/w1 - A*dw1drs/w1 206 darg1drs = dw1drs*(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 192 dw1drs = -expw1*depscdrs/(GAMMA*phi3) 195 dAdrs = dBETAdrs/GAMMA/w1 - A*dw1drs/w1 206 darg1drs = dw1drs*(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 201 dw1drs = -expw1*depscdrs/(GAMMA*phi3) 204 dAdrs = dBETAdrs/GAMMA/w1 - A*dw1drs/w1 215 darg1drs = dw1drs*(1d0 - GAt2) +
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H A D | xc_cscanl.F | 91 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) +
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/dports/science/qbox/qbox-public-rel1_73_3/src/ |
H A D | SCANFunctional.cpp | 229 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()
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