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Searched defs:negf_env_create (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dnegf_env_types.F169 CHARACTER(len=*), PARAMETER :: routineN = 'negf_env_create', & argument
170 routineP = moduleN//':'//routineN
172 CHARACTER(len=default_string_length) :: contact_str, force_env_str, &
174 INTEGER :: handle, icontact, in_use, n_force_env, &
175 ncontacts
176 LOGICAL :: do_kpoints
177 TYPE(cp_blacs_env_type), POINTER :: blacs_env
178 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: matrix_ks_kp, matrix_s_kp
179 TYPE(dft_control_type), POINTER :: dft_control
184 TYPE(qs_environment_type), POINTER :: qs_env, qs_env_contact
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dnegf_env_types.F169 CHARACTER(len=*), PARAMETER :: routineN = 'negf_env_create', & argument
170 routineP = moduleN//':'//routineN
172 CHARACTER(len=default_string_length) :: contact_str, force_env_str, &
174 INTEGER :: handle, icontact, in_use, n_force_env, &
175 ncontacts
176 LOGICAL :: do_kpoints
177 TYPE(cp_blacs_env_type), POINTER :: blacs_env
178 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: matrix_ks_kp, matrix_s_kp
179 TYPE(dft_control_type), POINTER :: dft_control
184 TYPE(qs_environment_type), POINTER :: qs_env, qs_env_contact
[all …]