Searched defs:langevinVEC (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/ |
| H A D | tamc_run.F | 892 CHARACTER(len=*), PARAMETER :: routineN = 'langevinVEC', routineP = moduleN//':'//routineN argument
894 … INTEGER :: iprint, ivar, nparticle, nparticle_kind, &
895 nstep, output_unit
896 REAL(KIND=dp) :: dt, gamma, mass, sigma
899 TYPE(cell_type), POINTER :: cell
900 TYPE(cp_logger_type), POINTER :: logger
902 TYPE(cp_subsys_type), POINTER :: subsys
903 TYPE(distribution_1d_type), POINTER :: local_molecules, local_particles
905 TYPE(global_constraint_type), POINTER :: gci
906 TYPE(mc_simpar_type), POINTER :: mc_par
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/ |
| H A D | tamc_run.F | 885 CHARACTER(len=*), PARAMETER :: routineN = 'langevinVEC', routineP = moduleN//':'//routineN argument
887 … INTEGER :: iprint, ivar, nparticle, nparticle_kind, &
888 nstep, output_unit
889 REAL(KIND=dp) :: dt, gamma, mass, sigma
892 TYPE(cell_type), POINTER :: cell
893 TYPE(cp_logger_type), POINTER :: logger
895 TYPE(cp_subsys_type), POINTER :: subsys
896 TYPE(distribution_1d_type), POINTER :: local_molecules, local_particles
898 TYPE(global_constraint_type), POINTER :: gci
899 TYPE(mc_simpar_type), POINTER :: mc_par
[all …]
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