| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/ |
| H A D | petite.cc | 86 ExEnv::out0() << incindent; in compute_atom_map()
90 ExEnv::out0() << incindent; in compute_atom_map()
269 ExEnv::out0() << incindent; in init()
273 ExEnv::out0() << incindent; in init()
440 o << indent << "PetiteList:" << endl << incindent; in print()
453 << indent << "atom_map_ =" << endl << incindent; in print()
463 << indent << "shell_map_ =" << endl << incindent; in print()
472 << indent << "p1_ =" << endl << incindent; in print()
477 << indent << "lamij_ =" << endl << incindent; in print()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/psi/ |
| H A D | psiinput.cc | 68 PsiInput::incindent(int i) in incindent() function in sc::PsiInput
86 incindent(2); in begin_section()
184 incindent(2); in write_basis()
227 incindent(2); in write_basis_sets()
238 incindent(2); in write_basis_sets()
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| H A D | psiinput.h | 55 void incindent(int);
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| H A D | psitest.cc | 48 o << incindent; mole->gradient().print(o); o << decindent; in main()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/util/misc/ |
| H A D | formiot.cc | 40 cout << incindent; in main()
42 cout << incindent; in main()
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| H A D | formio.h | 56 static std::ios& incindent(std::ios&o);
85 std::ios& incindent(std::ios&);
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| H A D | formio.cc | 156 SCFormIO::incindent(ios&o) in incindent() function in SCFormIO
271 sc::incindent(ios& o) in incindent() function in sc
273 return SCFormIO::incindent(o); in incindent()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/ |
| H A D | transform_tbint.cc | 353 os << indent << "MO space 1" << endl << incindent; in mospace_report()
355 os << indent << "MO space 2" << endl << incindent; in mospace_report()
357 os << indent << "MO space 3" << endl << incindent; in mospace_report()
359 os << indent << "MO space 4" << endl << incindent; in mospace_report()
368 os << incindent; in print_header()
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| H A D | dualbasis_mp2.cc | 66 ExEnv::out0() << incindent; in compute_dualEmp2_()
187 ExEnv::out0() << incindent; in compute_dualEmp1_()
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| H A D | mbptr12.cc | 286 o << incindent; in print()
340 o << incindent; aux_basis_->print(o); o << decindent << endl; in print()
342 o << incindent; vir_basis_->print(o); o << decindent << endl; in print()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/ |
| H A D | imcoor.cc | 445 ExEnv::out0() << incindent; in form_partial_K()
1074 os << indent << "Bonds:\n" << incindent; in print_simples()
1079 os << indent << "Bends:\n" << incindent; in print_simples()
1084 os << indent << "Torsions:\n" << incindent; in print_simples()
1089 os << indent << "Out of Plane:\n" << incindent; in print_simples()
1094 os << indent << "Extras:\n" << incindent; in print_simples()
1099 os << indent << "Fixed:\n" << incindent; in print_simples()
1104 os << indent << "Followed:\n" << incindent; in print_simples()
1109 os << indent << "Watched:\n" << incindent; in print_simples()
1122 os << incindent; in print_variable()
[all …]
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| H A D | energy.cc | 485 o << incindent; in print_natom_3()
512 o << incindent; in print_natom_3()
539 o << incindent; in print_natom_3()
562 o << indent << "Molecular Coordinates:\n" << incindent; in print()
567 o << indent << "Molecule:\n" << incindent; in print()
684 ExEnv::out0() << incindent; in compute()
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| H A D | symmcoor.cc | 397 ExEnv::out0() << incindent << indent in form_coordinates()
398 << "SymmMolecularCoor::form_variable_coordinates()\n" << incindent in form_coordinates()
525 os << indent << "SymmMolecularCoor Parameters:\n" << incindent in print()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/scf/ |
| H A D | scf.cc | 165 ExEnv::out0() << incindent << incindent; in SCF()
247 o << indent << "SCF Parameters:\n" << incindent in print()
418 ExEnv::out0() << incindent << incindent; in initial_vector()
434 ExEnv::out0() << incindent << incindent; in initial_vector()
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| H A D | uscf.cc | 171 << incindent << indent << "total_charge = " << charge << endl in UnrestrictedSCF()
395 o << indent << "UnrestrictedSCF Parameters:\n" << incindent in print()
430 ExEnv::out0() << incindent << incindent; in initial_vector()
452 ExEnv::out0() << incindent << incindent; in initial_vector()
625 << incindent << indent in set_occupations()
633 << incindent << indent in set_occupations()
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| H A D | ossscf.cc | 124 << incindent in OSSSCF()
286 o << indent << "OSSSCF Parameters:\n" << incindent in print()
406 << incindent << indent in set_occupations()
414 << incindent << indent in set_occupations()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/util/keyval/ |
| H A D | keyvalagg.cc | 118 fp << incindent; in errortrace()
132 fp << incindent; in dump()
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| H A D | keyvalpre.cc | 154 fp << incindent; in errortrace()
165 fp << incindent; in dump()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/math/scmat/ |
| H A D | replvect.cc | 129 ExEnv::out0() << indent << "dim():" << endl << incindent; in accumulate_product_rv()
132 ExEnv::out0() << indent << "la->rowdim():" << endl << incindent; in accumulate_product_rv()
135 ExEnv::out0() << indent << "la->coldim():" << endl << incindent; in accumulate_product_rv()
138 ExEnv::out0() << indent << "lb->dim():" << endl << incindent; in accumulate_product_rv()
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| /dports/science/mpqc/mpqc-2.3.1/src/bin/mpqc/ |
| H A D | mpqcin.cc | 401 ostrs << incindent; in parse_string()
412 ostrs << incindent; in parse_string()
515 o_extra << incindent; in write_energy_object()
615 ostrs << incindent; in write_energy_object()
701 ostrs << incindent; in write_basis_object()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/dft/ |
| H A D | clks.cc | 112 o << incindent; in print()
115 o << incindent; in print()
119 o << incindent; in print()
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| H A D | uks.cc | 145 o << incindent; in print()
148 o << incindent; in print()
152 o << incindent; in print()
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| H A D | hsosks.cc | 119 o << incindent; in print()
122 o << incindent; in print()
126 o << incindent; in print()
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| /dports/science/mpqc/mpqc-2.3.1/src/bin/scpr/ |
| H A D | scpr.cc | 222 ExEnv::out0() << incindent; in main()
228 ExEnv::out0() << incindent; in main()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/math/symmetry/ |
| H A D | chartab.cc | 135 << endl << endl << incindent; in print()
140 << endl << endl << incindent; in print()
|