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Searched defs:grad_up_grad_dn (Results 1 – 4 of 4) sorted by relevance

/dports/science/qbox/qbox-public-rel1_73_3/src/
H A DBHandHLYPFunctional.cpp129 double grad_up_grad_dn = grx_up*grx_dn + gry_up*gry_dn + grz_up*grz_dn; in setxc() local
172 double grad_up2, double grad_dn2, double grad_up_grad_dn, in excbhandhlyp()
H A DB3LYPFunctional.cpp130 double grad_up_grad_dn = grx_up*grx_dn + gry_up*gry_dn + grz_up*grz_dn; in setxc() local
185 double grad_up2, double grad_dn2, double grad_up_grad_dn, in excb3lyp_sp()
H A DBLYPFunctional.cpp137 double grad_up_grad_dn = grx_up*grx_dn + gry_up*gry_dn + grz_up*grz_dn; in setxc() local
260 double grad_up2, double grad_dn2, double grad_up_grad_dn, in exb88_sp()
340 double grad_up2, double grad_dn2, double grad_up_grad_dn, in eclyp_sp()
H A DXCPotential.cpp583 const double grad_up_grad_dn = grx_up * grx_dn + in compute_stress() local
1194 const double grad_up_grad_dn = grx_up * grx_dn + in compute_stress() local