Searched defs:spin_channel (Results 1 – 5 of 5) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_env_types.F | 78 INTEGER :: spin_channel component
159 … stogto_overlap, occ_estate, xas_nelectron, xas_estate, nexc_atoms, nexc_search, spin_channel, & argument
191 spin_channel local
255 SUBROUTINE set_xas_env(xas_env, iter_count, nexc_search, spin_channel, nexc_atoms, & argument
260 INTEGER, INTENT(IN), OPTIONAL :: iter_count, nexc_search, spin_channel, & local
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| H A D | xas_control.F | 42 INTEGER :: spin_channel component
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_env_types.F | 78 INTEGER :: spin_channel component
159 … stogto_overlap, occ_estate, xas_nelectron, xas_estate, nexc_atoms, nexc_search, spin_channel, & argument
191 spin_channel local
255 SUBROUTINE set_xas_env(xas_env, iter_count, nexc_search, spin_channel, nexc_atoms, & argument
260 INTEGER, INTENT(IN), OPTIONAL :: iter_count, nexc_search, spin_channel, & local
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| H A D | xas_control.F | 42 INTEGER :: spin_channel component
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/cp2k/ |
| H A D | outputs.py | 1244 def parse_dos(dos_file=None, spin_channel=None, total=False, sigma=0): argument
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