Searched refs:xcorb (Results 1 – 2 of 2) sorted by relevance
| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/xrs/ |
| H A D | main.cpp | 930 size_t xcorb; in main_guarded() local
1088 xcorb=solver.full_hole(sol,convthr,dft,method==XCH); in main_guarded()
1110 xcorb=solver.half_hole(sol,convthr,dft); in main_guarded()
1118 xcorb=find_excited_orb(basis,core,sol.Cb,noccb); in main_guarded()
1120 xcorb=find_excited_orb(basis,core,sol.Ca,nocca); in main_guarded()
1151 std::vector<spectrum_t> sp=compute_transitions(augbas,C_aug,E_aug,xcatom,xcorb,nocc); in main_guarded()
1167 qsp=compute_qdep_transitions_series(augbas,C_aug,E_aug,xcorb,nocc,qvals); in main_guarded()
1173 qsp=compute_qdep_transitions_fourier(augbas,C_aug,E_aug,xcorb,nocc,qvals); in main_guarded()
1179 qsp=compute_qdep_transitions_local(augbas,C_aug,E_aug,xcatom,xcorb,nocc,qvals); in main_guarded()
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/xrs/ |
| H A D | main.cpp | 929 size_t xcorb; in main_guarded() local
1087 xcorb=solver.full_hole(sol,convthr,dft,method==XCH); in main_guarded()
1109 xcorb=solver.half_hole(sol,convthr,dft); in main_guarded()
1117 xcorb=find_excited_orb(basis,core,sol.Cb,noccb); in main_guarded()
1119 xcorb=find_excited_orb(basis,core,sol.Ca,nocca); in main_guarded()
1150 std::vector<spectrum_t> sp=compute_transitions(augbas,C_aug,E_aug,xcatom,xcorb,nocc); in main_guarded()
1166 qsp=compute_qdep_transitions_series(augbas,C_aug,E_aug,xcorb,nocc,qvals); in main_guarded()
1172 qsp=compute_qdep_transitions_fourier(augbas,C_aug,E_aug,xcorb,nocc,qvals); in main_guarded()
1178 qsp=compute_qdep_transitions_local(augbas,C_aug,E_aug,xcatom,xcorb,nocc,qvals); in main_guarded()
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