Searched defs:CoefOrbitals (Results 1 – 9 of 9) sorted by relevance
| /dports/science/gabedit/GabeditSrc251_300720/src/Display/ |
| H A D | OrbitalsOrca.c | 450 …d_one_block_orbitals_in_orca_output_file(FILE* file, gint ncart, gdouble **CoefOrbitals, gdouble *… in read_one_block_orbitals_in_orca_output_file()
542 gdouble **CoefOrbitals; in read_last_orbitals_in_orca_output_file() local
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| H A D | OrbitalsNBO.c | 627 gdouble **CoefOrbitals; in read_orbitals_in_nbo_file_alpha_or_beta() local
712 gdouble **CoefOrbitals; in read_orbitals_in_nbo_file_all() local
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| H A D | AtomicOrbitals.c | 265 gdouble **CoefOrbitals; in read_atomic_orbitals_in_gabedit() local
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| H A D | OrbitalsMopac.c | 665 static gboolean normalize_orbitals(gchar* FileName, gdouble**CoefOrbitals) in normalize_orbitals()
772 static gboolean orthonormalize_orbitals_diag(gchar* FileName, gdouble**CoefOrbitals, gint nb, gint … in orthonormalize_orbitals_diag()
969 static gboolean orthonormalize_orbitals(gchar* FileName, gdouble**CoefOrbitals, gint nb, gint ne) in orthonormalize_orbitals()
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| H A D | OrbitalsNWChem.c | 656 gdouble **CoefOrbitals; in read_last_orbitals_in_nwchem_file() local
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| H A D | OrbitalsQChem.c | 821 gdouble **CoefOrbitals; in read_last_orbitals_in_qchem_file() local
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| H A D | OrbitalsGamess.c | 829 gdouble **CoefOrbitals; in read_last_orbitals_in_gamess_file() local
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| H A D | Orbitals.c | 1338 gdouble **CoefOrbitals; in read_last_orbitals_in_gaussian_file() local
1740 gdouble **CoefOrbitals; in read_orbitals_in_gabedit_or_molden_file() local
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| H A D | OrbitalsMolpro.c | 1014 gdouble **CoefOrbitals; in define_standard_orbitlas_from_molpro_orbitals() local
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