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 D | BHandHLYPFunctional.cpp | 129 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()
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H A D | B3LYPFunctional.cpp | 130 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()
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H A D | BLYPFunctional.cpp | 137 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()
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H A D | XCPotential.cpp | 583 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
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