Searched refs:vx1_b88 (Results 1 – 2 of 2) sorted by relevance
| /dports/science/qbox/qbox-public-rel1_73_3/src/ |
| H A D | BHandHLYPFunctional.cpp | 154 double ex_b88,vx1_b88,vx2_b88; in excbhandhlyp() local
157 BLYPFunctional::exb88(rho,grad,&ex_b88,&vx1_b88,&vx2_b88); in excbhandhlyp()
163 *vxc1 = xb88_coeff * vx1_b88 + in excbhandhlyp()
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| H A D | B3LYPFunctional.cpp | 157 double ex_b88,vx1_b88,vx2_b88; in excb3lyp() local
162 BLYPFunctional::exb88(rho,grad,&ex_b88,&vx1_b88,&vx2_b88); in excb3lyp()
166 const double dvx1_b88 = vx1_b88 - vx_lda; in excb3lyp()
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