Searched refs:well_tempered (Results 1 – 14 of 14) sorted by relevance
| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/colvars/ |
| H A D | colvarbias_meta.cpp | 227 get_keyval (conf, "wellTempered", well_tempered, false); in colvarbias_meta()
229 if ((bias_temperature == -1.0) && well_tempered) { in colvarbias_meta()
232 if (well_tempered) { in colvarbias_meta()
461 if (well_tempered) { in update()
472 if (well_tempered) { in update()
1550 if (well_tempered) { in write_pmf()
1576 if (well_tempered) { in write_pmf()
|
| H A D | colvarbias_meta.h | 151 bool well_tempered; variable
|
| /dports/science/lammps/lammps-stable_29Sep2021/lib/colvars/ |
| H A D | colvarbias_meta.cpp | 250 get_keyval(conf, "wellTempered", well_tempered, false); in init_well_tempered_params()
252 if ((bias_temperature == -1.0) && well_tempered) { in init_well_tempered_params()
255 if (well_tempered) { in init_well_tempered_params()
591 if (well_tempered) { in update_bias()
1828 if (well_tempered) { in write_pmf()
1869 if (well_tempered) { in write_pmf()
|
| H A D | colvarbias_meta.h | 176 bool well_tempered; variable
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | metadynamics_utils.F | 182 CALL section_vals_val_get(metadyn_section, "WELL_TEMPERED", l_val=meta_env%well_tempered)
187 IF (meta_env%well_tempered) THEN
333 IF (meta_env%well_tempered) THEN
|
| H A D | metadynamics_types.F | 99 LOGICAL :: well_tempered component
|
| H A D | metadynamics.F | 864 IF (meta_env%well_tempered) THEN
918 IF (meta_env%well_tempered) THEN
1043 …IF (meta_env%well_tempered) dfunc = dfunc/(1.0_dp + meta_env%wttemperature*hills_env%invdt_history…
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | metadynamics_utils.F | 182 CALL section_vals_val_get(metadyn_section, "WELL_TEMPERED", l_val=meta_env%well_tempered)
187 IF (meta_env%well_tempered) THEN
333 IF (meta_env%well_tempered) THEN
|
| H A D | metadynamics_types.F | 100 LOGICAL :: well_tempered component
|
| H A D | metadynamics.F | 865 IF (meta_env%well_tempered) THEN
919 IF (meta_env%well_tempered) THEN
1044 …IF (meta_env%well_tempered) dfunc = dfunc/(1.0_dp + meta_env%wttemperature*hills_env%invdt_history…
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
| H A D | md_run.F | 387 IF (force_env%meta_env%well_tempered) THEN
|
| H A D | input_cp2k_restarts.F | 788 IF (meta_env%well_tempered) THEN
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
| H A D | md_run.F | 387 IF (force_env%meta_env%well_tempered) THEN
|
| H A D | input_cp2k_restarts.F | 790 IF (meta_env%well_tempered) THEN
|