Searched defs:get_xas_env (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_env_types.F | 153 SUBROUTINE get_xas_env(xas_env, iter_count, exc_state, nao, nvirtual, nvirtual2, & subroutine
162 TYPE(xas_environment_type), POINTER :: xas_env
163 INTEGER, INTENT(OUT), OPTIONAL :: iter_count, exc_state, nao, nvirtual, &
164 nvirtual2
165 REAL(dp), DIMENSION(:, :), OPTIONAL, POINTER :: centers_wfn
166 INTEGER, DIMENSION(:), OPTIONAL, POINTER :: atom_of_state, exc_atoms, nexc_states, &
167 type_of_state, mykind_of_atom, &
168 mykind_of_kind
169 INTEGER, DIMENSION(:, :), OPTIONAL, POINTER :: state_of_atom
170 REAL(dp), DIMENSION(:, :), OPTIONAL, POINTER :: spectrum
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_env_types.F | 153 SUBROUTINE get_xas_env(xas_env, iter_count, exc_state, nao, nvirtual, nvirtual2, & subroutine
162 TYPE(xas_environment_type), POINTER :: xas_env
163 INTEGER, INTENT(OUT), OPTIONAL :: iter_count, exc_state, nao, nvirtual, &
164 nvirtual2
165 REAL(dp), DIMENSION(:, :), OPTIONAL, POINTER :: centers_wfn
166 INTEGER, DIMENSION(:), OPTIONAL, POINTER :: atom_of_state, exc_atoms, nexc_states, &
167 type_of_state, mykind_of_atom, &
168 mykind_of_kind
169 INTEGER, DIMENSION(:, :), OPTIONAL, POINTER :: state_of_atom
170 REAL(dp), DIMENSION(:, :), OPTIONAL, POINTER :: spectrum
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