Lines Matching refs:NAEB
88 int NAEB = AFinfo.NAEB; in fromASCII() local
90 if ((walker_type == NONCOLLINEAR) && (NAEB != 0)) in fromASCII()
115 … read_ph_wavefunction(in, ndets_to_read, walker_type, TGwfn.Node(), NMO, NAEA, NAEB, PsiT_MO); in fromASCII()
117 int NEL = (walker_type == NONCOLLINEAR) ? (NAEA + NAEB) : NAEA; in fromASCII()
155 … PsiT.emplace_back(PsiT_Matrix(tp_ul_ul{NAEB, NMO}, tp_ul_ul{0, 0}, 1, Alloc(TGwfn.Node()))); in fromASCII()
157 PsiT.emplace_back(PsiT_Matrix(tp_ul_ul{NAEB, NMO}, tp_ul_ul{0, 0}, in fromASCII()
158 … get_nnz(PsiT_MO.back(), refc + NAEA, NAEB, NMO), Alloc(TGwfn.Node()))); in fromASCII()
163 for (int k = 0; k < NAEB; k++) in fromASCII()
168 for (int k = 0; k < NAEB; k++) in fromASCII()
216 … PsiT.emplace_back(PsiT_Matrix(tp_ul_ul{NAEB, NMO}, tp_ul_ul{0, 0}, 1, Alloc(TGwfn.Node()))); in fromASCII()
218 PsiT.emplace_back(PsiT_Matrix(tp_ul_ul{NAEB, NMO}, tp_ul_ul{0, 0}, in fromASCII()
219 … get_nnz(PsiT_MO.back(), iwork.data(), NAEB, NMO), Alloc(TGwfn.Node()))); in fromASCII()
224 for (int k = 0; k < NAEB; k++) in fromASCII()
229 for (int k = 0; k < NAEB; k++) in fromASCII()
244 …read_general_wavefunction(in, ndets_to_read, walker_type, TGwfn.Node(), NMO, NAEA, NAEB, PsiT, ci); in fromASCII()
252 auto HOps(getHamOps(restart_file, walker_type, NMO, NAEA, NAEB, PsiT, in fromASCII()
329 … read_ph_wavefunction(in, ndets_to_read, walker_type, TGwfn.Node(), NMO, NAEA, NAEB, PsiT_MO); in fromASCII()
360 std::map<int, int> mo2active(find_active_space(PsiT_MO.size() == 1, abij, NMO, NAEA, NAEB)); in fromASCII()
437 for (int i = 0; i < NAEA + NAEB; i++, ++refc) in fromASCII()
468 auto HOps(getHamOps(restart_file, CLOSED, NMO, NAEA, NAEB, PsiT, in fromASCII()
514 std::vector<int> betaC(NAEB); in fromASCII()
522 for (int i = 0; i < NAEB; i++) in fromASCII()
531 for (int a = 0; a < NAEB; a++) in fromASCII()
644 int NAEB = AFinfo.NAEB; in fromHDF5() local
646 if ((walker_type == NONCOLLINEAR) && (NAEB != 0)) in fromHDF5()
677 getCommonInput(dump, NMO, NAEA, NAEB, ndets_to_read, ci, input_wtype, TGwfn.Global().root()); in fromHDF5()
702 if (NAEA != NAEB) in fromHDF5()
716 getInitialGuess(dump, name, NMO, NAEA, NAEB, walker_type); in fromHDF5()
720 auto HOps(getHamOps(restart_file, walker_type, NMO, NAEA, NAEB, PsiT, in fromHDF5()
807 …tion_hdf(dump, coeffs, occbuff, ndets_to_read, walker_type, TGwfn.Node(), NMO, NAEA, NAEB, PsiT_MO, in fromHDF5()
810 boost::multi::array_ref<int, 2> occs(to_address(occbuff.data()), {ndets_to_read, NAEA + NAEB}); in fromHDF5()
813 …computeVariationalEnergyPHMSD(TGwfn, h, occs, coeffs, ndets_to_read, NAEA, NAEB, NMO, recompute_ci… in fromHDF5()
816 …t, ComplexType> abij = build_ph_struct(coeffs, occs, ndets_to_read, TGwfn.Node(), NMO, NAEA, NAEB); in fromHDF5()
847 std::map<int, int> mo2active(find_active_space(PsiT_MO.size() == 1, abij, NMO, NAEA, NAEB)); in fromHDF5()
924 for (int i = 0; i < NAEA + NAEB; i++, ++refc) in fromHDF5()
955 getInitialGuess(dump, name, NMO, NAEA, NAEB, walker_type); in fromHDF5()
958 auto HOps(getHamOps(restart_file, CLOSED, NMO, NAEA, NAEB, PsiT, in fromHDF5()
1019 int NAEB, in getInitialGuess() argument
1053 boost::multi::array<ComplexType, 2> Psi0Beta({NMO, NAEB}); in getInitialGuess()
1060 for (int j = 0; j < NAEB; j++) in getInitialGuess()
1066 assert(NAEA == NAEB); in getInitialGuess()
1073 for (int j = 0; j < NAEB; j++) in getInitialGuess()
1091 int NAEB, in computeVariationalEnergyPHMSD() argument
1108 boost::multi::array_ref<int, 1> deti(occs[idet].origin(), {NAEA + NAEB}); in computeVariationalEnergyPHMSD()
1127 boost::multi::array_ref<int, 1> detj(occs[jdet].origin(), {NAEA + NAEB}); in computeVariationalEnergyPHMSD()
1186 int NAEB, in getHamOps() argument
1220 return loadHamOps(restart, type, NMO, NAEA, NAEB, PsiT, TGprop, TGwfn, cutvn, cutv2); in getHamOps()