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subroutine, public | extended_system_init::initialize_npt (simpar, globenv, npt_info, cell, work_section) |
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subroutine, public | extended_system_init::initialize_nhc_baro (simpar, para_env, globenv, nhc, nose_section, save_mem) |
| fire up the thermostats, if NPT More...
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subroutine, public | extended_system_init::initialize_nhc_slow (thermostat_info, simpar, local_molecules, molecule, molecule_kind_set, para_env, globenv, nhc, nose_section, gci, save_mem) |
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subroutine, public | extended_system_init::initialize_nhc_fast (thermostat_info, simpar, local_molecules, molecule, molecule_kind_set, para_env, globenv, nhc, nose_section, gci, save_mem) |
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subroutine, public | extended_system_init::initialize_nhc_part (thermostat_info, simpar, local_molecules, molecule, molecule_kind_set, para_env, globenv, nhc, nose_section, gci, save_mem, binary_restart_file_name) |
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subroutine, public | extended_system_init::initialize_nhc_shell (thermostat_info, simpar, local_molecules, molecule, molecule_kind_set, para_env, globenv, nhc, nose_section, gci, save_mem, binary_restart_file_name) |
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