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subroutine, public | thermostat_mapping::adiabatic_mapping_region (map_info, deg_of_freedom, massive_atom_list, molecule_kind_set, local_molecules, molecule_set, para_env, natoms_local, simpar, number, region, gci, shell, map_loc_thermo_gen, sum_of_thermostats) |
| Main general setup for adiabatic thermostat regions (Nose only) More...
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subroutine, public | thermostat_mapping::thermostat_mapping_region (map_info, deg_of_freedom, massive_atom_list, molecule_kind_set, local_molecules, molecule_set, para_env, natoms_local, simpar, number, region, gci, shell, map_loc_thermo_gen, sum_of_thermostats) |
| Main general setup thermostat regions (thermostat independent) More...
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subroutine, public | thermostat_mapping::init_baro_map_info (map_info, ndeg, num_thermo) |
| Initialize the map_info for barostat thermostat. More...
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