Searched refs:nvt_adiabatic_ensemble (Results 1 – 14 of 14) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
H A D | velocity_verlet_control.F | 18 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, reftraj_ensemble 77 CASE (nvt_adiabatic_ensemble)
|
H A D | md_conserved_quantities.F | 27 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, reftraj_ensemble 167 CASE (nvt_adiabatic_ensemble)
|
H A D | input_cp2k_md.F | 26 npt_f_ensemble, npt_i_ensemble, nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, & 102 nvt_adiabatic_ensemble/))
|
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
H A D | velocity_verlet_control.F | 18 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, reftraj_ensemble 77 CASE (nvt_adiabatic_ensemble)
|
H A D | md_conserved_quantities.F | 27 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, reftraj_ensemble 167 CASE (nvt_adiabatic_ensemble)
|
H A D | input_cp2k_md.F | 26 npt_f_ensemble, npt_i_ensemble, nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, & 102 nvt_adiabatic_ensemble/))
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/thermostat/ |
H A D | extended_system_mapping.F | 24 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, reftraj_ensemble 328 CASE (nvt_adiabatic_ensemble) 424 CASE (nvt_adiabatic_ensemble)
|
H A D | thermostat_methods.F | 51 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble 160 apply_thermo_adiabatic = (simpar%ensemble == nvt_adiabatic_ensemble) 182 IF (simpar%ensemble == nvt_adiabatic_ensemble) THEN
|
H A D | thermostat_utils.F | 33 npt_f_ensemble, npt_i_ensemble, nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, & 283 CASE (nvt_adiabatic_ensemble) 600 CASE (nve_ensemble, nvt_ensemble, nvt_adiabatic_ensemble, npt_i_ensemble, &
|
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/thermostat/ |
H A D | extended_system_mapping.F | 24 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, reftraj_ensemble 328 CASE (nvt_adiabatic_ensemble) 424 CASE (nvt_adiabatic_ensemble)
|
H A D | thermostat_methods.F | 51 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble 160 apply_thermo_adiabatic = (simpar%ensemble == nvt_adiabatic_ensemble) 182 IF (simpar%ensemble == nvt_adiabatic_ensemble) THEN
|
H A D | thermostat_utils.F | 33 npt_f_ensemble, npt_i_ensemble, nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, & 283 CASE (nvt_adiabatic_ensemble) 600 CASE (nve_ensemble, nvt_ensemble, nvt_adiabatic_ensemble, npt_i_ensemble, &
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | input_constants.F | 103 nvt_adiabatic_ensemble = 13 variable
|
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | input_constants.F | 103 nvt_adiabatic_ensemble = 13 variable
|