Searched refs:n_pc (Results 1 – 4 of 4) sorted by relevance
/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/wfn/ |
H A D | wfn.cc | 540 int n_pc = i_pc.size(); in core_hamiltonian() local 548 for (int i=0; i<n_pc; i++) { in core_hamiltonian() 651 std::vector<int> &n_pc, in set_up_charge_types() argument 656 n_pc.clear(); in set_up_charge_types() 667 else n_pc.push_back(i); in set_up_charge_types() 683 nucrep += nuc_rep_pc_pc(n_pc, n_pc, true /* i > j */); in nuclear_repulsion_energy() 690 nucrep += nuc_rep_pc_cd(n_pc, n_cd); in nuclear_repulsion_energy() 692 nucrep += nuc_rep_pc_cd(n_pc, q_cd); in nuclear_repulsion_energy() 859 nuc_rep_grad_pc_pc(g, n_pc, n_pc, true /* i > j */); in nuclear_repulsion_energy_gradient() 866 nuc_rep_grad_pc_cd(g, n_pc, n_cd); in nuclear_repulsion_energy_gradient() [all …]
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H A D | wfn.h | 79 std::vector<int> &n_pc,
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/dports/math/libflame/libflame-5.2.0/test/src/ |
H A D | test_libflame.h | 180 unsigned int n_pc, 201 unsigned int n_pc,
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H A D | test_libflame.c | 1101 unsigned int n_pc, in libfla_test_op_driver() argument 1203 for ( pci = 0; pci < n_pc; ++pci ) in libfla_test_op_driver() 1220 n_pc, pc_str[pci], in libfla_test_op_driver() 1262 unsigned int n_pc, in libfla_test_build_function_string() argument 1272 if ( n_pc > 1 ) in libfla_test_build_function_string() 1279 if ( n_pc > 1 ) in libfla_test_build_function_string() 1284 if ( n_pc > 1 ) in libfla_test_build_function_string()
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