| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_env_types.F | 79 INTEGER :: nvirtual, nvirtual2 component
153 SUBROUTINE get_xas_env(xas_env, iter_count, exc_state, nao, nvirtual, nvirtual2, & argument
163 INTEGER, INTENT(OUT), OPTIONAL :: iter_count, exc_state, nao, nvirtual, & local
256 nvirtual, nvirtual2, ip_energy, occ_estate, qs_loc_env, & argument
261 nexc_atoms, nvirtual, nvirtual2 local
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| H A D | xas_tp_scf.F | 648 nvirtual, nvirtual2, output_unit local
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| H A D | xas_methods.F | 596 nsgf_gto, nsgf_sto, nspins, nvirtual, nvirtual2 local
1042 nvirtual, output_unit, xas_estate local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_env_types.F | 79 INTEGER :: nvirtual, nvirtual2 component
153 SUBROUTINE get_xas_env(xas_env, iter_count, exc_state, nao, nvirtual, nvirtual2, & argument
163 INTEGER, INTENT(OUT), OPTIONAL :: iter_count, exc_state, nao, nvirtual, & local
256 nvirtual, nvirtual2, ip_energy, occ_estate, qs_loc_env, & argument
261 nexc_atoms, nvirtual, nvirtual2 local
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| H A D | xas_tp_scf.F | 648 nvirtual, nvirtual2, output_unit local
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| H A D | xas_methods.F | 596 nsgf_gto, nsgf_sto, nspins, nvirtual, nvirtual2 local
1042 nvirtual, output_unit, xas_estate local
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| /dports/mail/postfix-current/postfix-3.7-20211107/src/global/ |
| H A D | own_inet_addr.c | 86 int nvirtual; in own_inet_addr_init() local
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| /dports/science/bagel/bagel-1.2.2/src/smith/ |
| H A D | smith.cc | 61 const size_t nvirtual = r->nvirt() - info->nfrozenvirt(); local
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| /dports/science/qwalk/mainline-1.0.1-300-g1b7e381/utils/autogen/ |
| H A D | crystal2qmc.py | 716 kset='complex',nvirtual=50): argument
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| /dports/science/chemps2/CheMPS2-1.8.10/integrals/psi4plugins/ |
| H A D | dmrg.cc | 636 int * nvirtual = new int[nirrep]; in dmrg() local
|