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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dnegf_control_types.F202 CHARACTER(len=*), PARAMETER :: routineN = 'read_negf_control', & argument
203 routineP = moduleN//':'//routineN
205 CHARACTER(len=default_string_length) :: contact_id_str, eta_current_str, eta_max_str, &
206 npoles_current_str, npoles_min_str, temp_current_str, temp_min_str
207 … INTEGER :: delta_npoles_min, handle, i2_rep, i_rep, &
208 n2_rep, n_rep, natoms_current, &
209 natoms_total, run_type
211 LOGICAL :: do_negf, is_explicit
212 REAL(kind=dp) :: eta_max, temp_current, temp_min
213 TYPE(section_vals_type), POINTER :: cell_section, contact_section, &
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dnegf_control_types.F202 CHARACTER(len=*), PARAMETER :: routineN = 'read_negf_control', & argument
203 routineP = moduleN//':'//routineN
205 CHARACTER(len=default_string_length) :: contact_id_str, eta_current_str, eta_max_str, &
206 npoles_current_str, npoles_min_str, temp_current_str, temp_min_str
207 … INTEGER :: delta_npoles_min, handle, i2_rep, i_rep, &
208 n2_rep, n_rep, natoms_current, &
209 natoms_total, run_type
211 LOGICAL :: do_negf, is_explicit
212 REAL(kind=dp) :: eta_max, temp_current, temp_min
213 TYPE(section_vals_type), POINTER :: cell_section, contact_section, &
[all …]