Documentation for module extended_system_init

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source: extended_system_init.F
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public Subroutines/Functions:

fire up the thermostats, if NPT
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SUBROUTINEinitialize_nhc_baro(simpar, para_env, globenv, nhc, nose_section, save_mem)

fire up the thermostats, if NPT

Arguments:
POINTER
:: simpar ...
POINTER
:: para_env ...
POINTER
:: globenv ...
POINTER
:: nhc ...
POINTER
:: nose_section ...
LOGICAL,
INTENT(in)
:: save_mem ...

SUBROUTINEinitialize_nhc_fast(thermostat_info, simpar, local_molecules, molecule, molecule_kind_set, para_env, globenv, nhc, nose_section, gci, save_mem)

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Arguments:
POINTER
:: thermostat_info ...
POINTER
:: simpar ...
POINTER
:: local_molecules ...
POINTER
:: molecule(:) ...
POINTER
:: molecule_kind_set(:) ...
POINTER
:: para_env ...
POINTER
:: globenv ...
POINTER
:: nhc ...
POINTER
:: nose_section ...
POINTER
:: gci ...
LOGICAL,
INTENT(in)
:: save_mem ...

SUBROUTINEinitialize_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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Arguments:
POINTER
:: thermostat_info ...
POINTER
:: simpar ...
POINTER
:: local_molecules ...
POINTER
:: molecule(:) ...
POINTER
:: molecule_kind_set(:) ...
POINTER
:: para_env ...
POINTER
:: globenv ...
POINTER
:: nhc ...
POINTER
:: nose_section ...
POINTER
:: gci ...
LOGICAL,
INTENT(in)
:: save_mem ...
CHARACTER(*),
INTENT(in)
:: binary_restart_file_name ...

SUBROUTINEinitialize_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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Arguments:
POINTER
:: thermostat_info ...
POINTER
:: simpar ...
POINTER
:: local_molecules ...
POINTER
:: molecule(:) ...
POINTER
:: molecule_kind_set(:) ...
POINTER
:: para_env ...
POINTER
:: globenv ...
POINTER
:: nhc ...
POINTER
:: nose_section ...
POINTER
:: gci ...
LOGICAL,
INTENT(in)
:: save_mem ...
CHARACTER(*),
INTENT(in)
:: binary_restart_file_name ...

SUBROUTINEinitialize_nhc_slow(thermostat_info, simpar, local_molecules, molecule, molecule_kind_set, para_env, globenv, nhc, nose_section, gci, save_mem)

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Arguments:
POINTER
:: thermostat_info ...
POINTER
:: simpar ...
POINTER
:: local_molecules ...
POINTER
:: molecule(:) ...
POINTER
:: molecule_kind_set(:) ...
POINTER
:: para_env ...
POINTER
:: globenv ...
POINTER
:: nhc ...
POINTER
:: nose_section ...
POINTER
:: gci ...
LOGICAL,
INTENT(in)
:: save_mem ...

SUBROUTINEinitialize_npt(simpar, globenv, npt_info, cell, work_section)

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Arguments:
POINTER
:: simpar ...
POINTER
:: globenv ...
POINTER
:: npt_info(:,:) ...
TYPE(cell_type),
POINTER
:: cell ...
POINTER
:: work_section ...