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Searched refs:negf_run (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dnegf_control_types.F13 USE input_constants, ONLY: negf_run
219 do_negf = run_type == negf_run
H A Dinput_cp2k_global.F41 negf_run, none_run, pint_run, real_time_propagation, tree_mc_run, vib_anal
326 … vib_anal, real_time_propagation, ehrenfest, do_tamc, tree_mc_run, driver_run, negf_run/), &
H A Dinput_cp2k_check.F23 do_thermo_same_as_part, negf_run, npt_f_ensemble, npt_i_ensemble, vdw_nl_LMKLL, &
106 …(nforce_eval == 1)) .OR. (.NOT. explicit .AND. (nforce_eval > 1))) .AND. run_type /= negf_run) THEN
H A Dinput_constants.F135 negf_run = 20 variable
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dinput_cp2k_global.F41 negf_run, none_run, pint_run, real_time_propagation, tree_mc_run, vib_anal
326 … vib_anal, real_time_propagation, ehrenfest, do_tamc, tree_mc_run, driver_run, negf_run/), &
H A Dnegf_control_types.F13 USE input_constants, ONLY: negf_run
219 do_negf = run_type == negf_run
H A Dinput_cp2k_check.F23 do_thermo_same_as_part, negf_run, npt_f_ensemble, npt_i_ensemble, vdw_nl_LMKLL, &
106 …(nforce_eval == 1)) .OR. (.NOT. explicit .AND. (nforce_eval > 1))) .AND. run_type /= negf_run) THEN
H A Dinput_constants.F135 negf_run = 20 variable
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/start/
H A Dcp2k_runs.F81 mol_dyn_run, mon_car_run, negf_run, none_run, pint_run, real_time_propagation, &
383 CASE (negf_run)
/dports/science/cp2k-data/cp2k-7.1.0/src/start/
H A Dcp2k_runs.F83 mol_dyn_run, mon_car_run, negf_run, none_run, pint_run, real_time_propagation, &
384 CASE (negf_run)