| /dports/science/qbox/qbox-public-rel1_73_3/src/ |
| H A D | BHandHLYPFunctional.cpp | 77 vxc2_upup = &_vxc2_upup[0]; in BHandHLYPFunctional()
114 assert( vxc2_upup != 0 ); in setxc()
133 &vxc2_upup[i],&vxc2_dndn[i], in setxc()
174 double *vxc2_upup, double *vxc2_dndn, double *vxc2_updn, double *vxc2_dnup) in excbhandhlyp() argument
211 *vxc2_upup = xb88_coeff * vx2_b88_upup + clyp_coeff * vc2_lyp_upup; in excbhandhlyp()
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| H A D | B3LYPFunctional.cpp | 78 vxc2_upup = &_vxc2_upup[0]; in B3LYPFunctional()
115 assert( vxc2_upup != 0 ); in setxc()
134 &vxc2_upup[i],&vxc2_dndn[i], in setxc()
187 double *vxc2_upup, double *vxc2_dndn, double *vxc2_updn, double *vxc2_dnup) in excb3lyp_sp() argument
246 *vxc2_upup = xb88_coeff * dvx2_b88_upup + clyp_coeff * vc2_lyp_upup; in excb3lyp_sp()
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| H A D | XCFunctional.h | 71 double *vxc2, *vxc2_upup, *vxc2_dndn, *vxc2_updn, *vxc2_dnup; variable
92 vxc2 = vxc2_upup = vxc2_dndn = vxc2_updn = vxc2_dnup = 0; in XCFunctional()
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| H A D | PBEFunctional.cpp | 80 vxc2_upup = &_vxc2_upup[0]; in PBEFunctional()
116 assert( vxc2_upup != 0 ); in setxc()
137 &vxc1_up[i],&vxc1_dn[i],&vxc2_upup[i],&vxc2_dndn[i], in setxc()
285 double *vxc1_up, double *vxc1_dn, double *vxc2_upup, double *vxc2_dndn, in excpbe_sp() argument
314 *vxc2_upup = 0.0; in excpbe_sp()
474 *vxc2_upup = x_coeff_ * 2 * vx2_up + c_coeff_ * vc2; in excpbe_sp()
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| H A D | B3LYPFunctional.h | 40 double *vxc2_upup, double *vxc2_dndn, double *vxc2_updn, double *vxc2_dnup);
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| H A D | BHandHLYPFunctional.h | 40 double *vxc2_upup, double *vxc2_dndn, double *vxc2_updn, double *vxc2_dnup);
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| H A D | PBEFunctional.h | 43 double *vxc1_up, double *vxc1_dn, double *vxc2_upup, double *vxc2_dndn,
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| H A D | SCANFunctional.h | 43 double *vxc1_up, double *vxc1_dn, double *vxc2_upup, double *vxc2_dndn,
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| H A D | BLYPFunctional.cpp | 76 vxc2_upup = &_vxc2_upup[0]; in BLYPFunctional()
120 assert( vxc2_upup != 0 ); in setxc()
150 vxc2_upup[i] = vx2_upup + vc2_upup; in setxc()
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| H A D | SCANFunctional.cpp | 90 vxc2_upup = &vxc2_upup_[0]; in SCANFunctional()
132 assert( vxc2_upup != 0 ); in setxc()
154 &exc_up[i],&exc_dn[i],&vxc1_up[i],&vxc1_dn[i],&vxc2_upup[i], in setxc()
472 double *exc_dn, double *vxc1_up, double *vxc1_dn, double *vxc2_upup, in excSCAN_sp() argument
550 *vxc2_upup = 0.0; in excSCAN_sp()
991 *vxc2_upup = x_coeff_ * 2.0 * vx2_up + c_coeff_ * vc2; in excSCAN_sp()
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| H A D | HSEFunctional.cpp | 101 vxc2_upup = &_vxc2_upup[0]; in HSEFunctional()
937 assert(vxc2_upup != 0); in setxc()
976 vxc2_upup[i] = 2 * vx2_up + c_coeff_ * vc2; in setxc()
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| H A D | RSHFunctional.cpp | 110 vxc2_upup = &_vxc2_upup[0]; in RSHFunctional()
944 assert(vxc2_upup != 0); in setxc()
983 vxc2_upup[i] = 2 * vx2_up + c_coeff_ * vc2; in setxc()
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| H A D | XCPotential.cpp | 334 double *v2_upup = xcf_->vxc2_upup; in update()
552 const double *const v2_upup = xcf_->vxc2_upup; in compute_stress()
884 const double *const v2_upup = xcf_->vxc2_upup; in compute_stress()
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