| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/psi/ |
| H A D | psiinput.cc | 75 PsiInput::decindent(int i) in decindent() function in sc::PsiInput
92 decindent(2); in end_section()
200 decindent(2); in write_basis()
246 decindent(2); in write_basis_sets()
250 decindent(2); in write_basis_sets()
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| H A D | psiinput.h | 56 void decindent(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 | 52 cout << decindent; in main()
54 cout << decindent; in main()
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| H A D | formio.h | 55 static std::ios& decindent(std::ios&o);
83 std::ios& decindent(std::ios&);
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| H A D | formio.cc | 168 SCFormIO::decindent(ios&o) in decindent() function in SCFormIO
265 sc::decindent(ios& o) in decindent() function in sc
267 return SCFormIO::decindent(o); in decindent()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/ |
| H A D | imcoor.cc | 1050 << decindent << endl; in print()
1076 os << decindent; in print_simples()
1081 os << decindent; in print_simples()
1086 os << decindent; in print_simples()
1091 os << decindent; in print_simples()
1096 os << decindent; in print_simples()
1101 os << decindent; in print_simples()
1106 os << decindent; in print_simples()
1111 os << decindent; in print_simples()
1124 os << decindent; in print_variable()
[all …]
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| H A D | energy.cc | 498 o << decindent; in print_natom_3()
525 o << decindent; in print_natom_3()
552 o << decindent; in print_natom_3()
564 o << decindent; in print()
569 o << decindent << endl; in print()
719 ExEnv::out0() << decindent; in compute()
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| H A D | symmcoor.cc | 402 << decindent << decindent << flush; in form_coordinates()
531 << decindent << endl; in print()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/ |
| H A D | transform_tbint.cc | 354 space1_->print_summary(os); os << decindent; in mospace_report()
356 space2_->print_summary(os); os << decindent; in mospace_report()
358 space3_->print_summary(os); os << decindent; in mospace_report()
360 space4_->print_summary(os); os << decindent; in mospace_report()
390 os << decindent; in print_footer()
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| H A D | dualbasis_mp2.cc | 164 ExEnv::out0() << decindent; in compute_dualEmp2_()
214 ExEnv::out0() << decindent; in compute_dualEmp1_()
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| H A D | mbptr12.cc | 340 o << incindent; aux_basis_->print(o); o << decindent << endl; in print()
342 o << incindent; vir_basis_->print(o); o << decindent << endl; in print()
344 o << decindent; in print()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/ |
| H A D | petite.cc | 88 ExEnv::out0() << decindent; in compute_atom_map()
271 ExEnv::out0() << decindent; in init()
443 o << indent << "is c1\n" << decindent; in print()
462 o << endl << decindent in print()
471 o << endl << decindent in print()
476 o << decindent in print()
484 o << endl << decindent; in print()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/scf/ |
| H A D | scf.cc | 187 ExEnv::out0() << decindent << decindent; in SCF()
251 << decindent << endl; in print()
427 ExEnv::out0() << decindent << decindent; in initial_vector()
437 ExEnv::out0() << decindent << decindent; in initial_vector()
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| H A D | uscf.cc | 173 << indent << "multiplicity = " << mult << endl << decindent; in UnrestrictedSCF()
409 o << " ]" << endl << decindent << endl; in print()
445 ExEnv::out0() << decindent << decindent; in initial_vector()
457 ExEnv::out0() << decindent << decindent; in initial_vector()
629 << endl << decindent; in set_occupations()
637 << endl << decindent; in set_occupations()
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| H A D | ossscf.cc | 127 << indent << "ndocc_ = " << tndocc_ << endl << decindent; in OSSSCF()
296 o << " ]" << endl << decindent << endl; in print()
410 << endl << decindent; in set_occupations()
416 << endl << decindent; in set_occupations()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/util/keyval/ |
| H A D | keyvalagg.cc | 120 fp << decindent; in errortrace()
134 fp << decindent; in dump()
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| H A D | keyvalpre.cc | 156 fp << decindent; in errortrace()
167 fp << decindent; in dump()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/math/scmat/ |
| H A D | replvect.cc | 131 ExEnv::out0() << decindent; in accumulate_product_rv()
134 ExEnv::out0() << decindent; in accumulate_product_rv()
137 ExEnv::out0() << decindent; in accumulate_product_rv()
140 ExEnv::out0() << decindent; in accumulate_product_rv()
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| /dports/science/mpqc/mpqc-2.3.1/src/bin/mpqc/ |
| H A D | mpqcin.cc | 395 ostrs << decindent; in parse_string()
408 ostrs << decindent; in parse_string()
451 ostrs << decindent; in parse_string()
690 ostrs << decindent; in write_energy_object()
704 ostrs << decindent; 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 | 117 o << decindent; in print()
121 o << decindent; in print()
122 o << decindent; in print()
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| H A D | uks.cc | 150 o << decindent; in print()
154 o << decindent; in print()
155 o << decindent; in print()
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| H A D | hsosks.cc | 124 o << decindent; in print()
128 o << decindent; in print()
129 o << decindent; in print()
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| /dports/science/mpqc/mpqc-2.3.1/src/bin/scpr/ |
| H A D | scpr.cc | 233 if (nobject > 1) ExEnv::out0() << decindent; in main()
235 if (nfile > 1) ExEnv::out0() << decindent; in main()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/math/symmetry/ |
| H A D | chartab.cc | 139 os << decindent << indent << "inverse symmetry operation matrices:" in print()
144 os << decindent; in print()
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