Searched refs:force_mixing_label_QM_core_list (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmmx_util.F | 42 force_mixing_label_QM_core_list,&
207 …CALL add_new_label(mm_index_entry(ip), force_mixing_label_QM_core_list, n_new, new_indices, new_la…
279 …force_mixing_label_QM_core_list, force_mixing_label_QM_core_list, force_mixing_label_QM_core, r_co…
295 QM_extended_seed_min_label_val = force_mixing_label_QM_core_list
301 … QM_extended_seed_min_label_val, force_mixing_label_QM_core_list, &
314 …force_mixing_label_QM_dynamics, force_mixing_label_QM_core_list, force_mixing_label_buffer, r_buf,…
350 " N_QM core_list ", COUNT(new_labels == force_mixing_label_QM_core_list), &
674 …_labels(ip) > force_mixing_label_none .AND. cur_labels(ip) < force_mixing_label_QM_core_list .AND.…
709 cur_labels(ip) /= force_mixing_label_QM_core_list .AND. &
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| H A D | qmmm_types_low.F | 45 force_mixing_label_QM_core_list = 10, & variable
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmmx_util.F | 42 force_mixing_label_QM_core_list,&
207 …CALL add_new_label(mm_index_entry(ip), force_mixing_label_QM_core_list, n_new, new_indices, new_la…
279 …force_mixing_label_QM_core_list, force_mixing_label_QM_core_list, force_mixing_label_QM_core, r_co…
295 QM_extended_seed_min_label_val = force_mixing_label_QM_core_list
301 … QM_extended_seed_min_label_val, force_mixing_label_QM_core_list, &
314 …force_mixing_label_QM_dynamics, force_mixing_label_QM_core_list, force_mixing_label_buffer, r_buf,…
350 " N_QM core_list ", COUNT(new_labels == force_mixing_label_QM_core_list), &
674 …_labels(ip) > force_mixing_label_none .AND. cur_labels(ip) < force_mixing_label_QM_core_list .AND.…
709 cur_labels(ip) /= force_mixing_label_QM_core_list .AND. &
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| H A D | qmmm_types_low.F | 45 force_mixing_label_QM_core_list = 10, & variable
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