Searched refs:unoccupied_eps (Results 1 – 6 of 6) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_env_types.F | 90 REAL(dp) :: ip_energy, occ_estate, unoccupied_eps, xas_nelectron, homo_occ component
157 unoccupied_orbs, unoccupied_evals, unoccupied_max_iter, unoccupied_eps, & argument
181 REAL(dp), OPTIONAL :: unoccupied_eps local
211 IF (PRESENT(unoccupied_eps)) unoccupied_eps = xas_env%unoccupied_eps
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| H A D | xas_tp_scf.F | 582 … unoccupied_evals=uno_evals, unoccupied_eps=uno_eps, unoccupied_max_iter=uno_iter)
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| H A D | xas_methods.F | 675 xas_env%unoccupied_eps = xas_control%eps_added
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_env_types.F | 90 REAL(dp) :: ip_energy, occ_estate, unoccupied_eps, xas_nelectron, homo_occ component
157 unoccupied_orbs, unoccupied_evals, unoccupied_max_iter, unoccupied_eps, & argument
181 REAL(dp), OPTIONAL :: unoccupied_eps local
211 IF (PRESENT(unoccupied_eps)) unoccupied_eps = xas_env%unoccupied_eps
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| H A D | xas_tp_scf.F | 582 … unoccupied_evals=uno_evals, unoccupied_eps=uno_eps, unoccupied_max_iter=uno_iter)
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| H A D | xas_methods.F | 675 xas_env%unoccupied_eps = xas_control%eps_added
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