Searched defs:norbitals (Results 1 – 8 of 8) sorted by relevance
| /dports/science/py-ase/ase-3.22.0/ase/calculators/siesta/ |
| H A D | import_functions.py | 194 def readPLD(fname, norbitals, natoms): argument
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/quantumio/ |
| H A D | gamessukout.cpp | 647 unsigned int norbitals, norbitalsRead; in readMOVectors() local
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/quantumio/ |
| H A D | gamessukout.cpp | 647 unsigned int norbitals, norbitalsRead; in readMOVectors() local
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| /dports/science/gabedit/GabeditSrc251_300720/src/Display/ |
| H A D | OrbitalsMolpro.c | 791 OneOrbital* get_orbitals_from_strorbs(gchar **strorbs,gint nrows,gint *norbitals,gint type) in get_orbitals_from_strorbs()
856 gint norbitals; in read_orbitals_from_a_molpro_output_file() local
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| /dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/converter/ |
| H A D | abinit2qmc.cpp | 183 int norbitals() { in norbitals() function in WF_kpoint
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| /dports/science/madness/madness-ebb3fd7/src/apps/hf/ |
| H A D | solver.h | 353 unsigned int norbitals = awfs_old.size() / _kpoints.size(); in update_subspace() local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_kind_types.F | 1440 nb_rep, nexp, ngauss, nlcc, nloc, nnl, norbitals, npaodesc, npaopot, nppnl, nspin, z local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_kind_types.F | 1409 nb_rep, nexp, ngauss, nlcc, nloc, nnl, norbitals, npaodesc, npaopot, nppnl, nspin, z local
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