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Searched refs:nvt_adiabatic_ensemble (Results 1 – 14 of 14) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/
H A Dvelocity_verlet_control.F18 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, reftraj_ensemble
77 CASE (nvt_adiabatic_ensemble)
H A Dmd_conserved_quantities.F27 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, reftraj_ensemble
167 CASE (nvt_adiabatic_ensemble)
H A Dinput_cp2k_md.F26 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 Dvelocity_verlet_control.F18 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, reftraj_ensemble
77 CASE (nvt_adiabatic_ensemble)
H A Dmd_conserved_quantities.F27 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, reftraj_ensemble
167 CASE (nvt_adiabatic_ensemble)
H A Dinput_cp2k_md.F26 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 Dextended_system_mapping.F24 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, reftraj_ensemble
328 CASE (nvt_adiabatic_ensemble)
424 CASE (nvt_adiabatic_ensemble)
H A Dthermostat_methods.F51 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 Dthermostat_utils.F33 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 Dextended_system_mapping.F24 nve_ensemble, nvt_adiabatic_ensemble, nvt_ensemble, reftraj_ensemble
328 CASE (nvt_adiabatic_ensemble)
424 CASE (nvt_adiabatic_ensemble)
H A Dthermostat_methods.F51 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 Dthermostat_utils.F33 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 Dinput_constants.F103 nvt_adiabatic_ensemble = 13 variable
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dinput_constants.F103 nvt_adiabatic_ensemble = 13 variable