Documentation for module thermostat_methods

Methods for Thermostats

source: thermostat_methods.F
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public Subroutines/Functions:

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SUBROUTINEapply_thermostat_baro(thermostat, npt, group)

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Arguments:
POINTER
:: thermostat ...
POINTER
:: npt(:,:) ...
INTEGER,
INTENT(in)
:: group ...

SUBROUTINEapply_thermostat_particles(thermostat, force_env, molecule_kind_set, molecule_set, particle_set, local_molecules, local_particles, group, shell_adiabatic, shell_particle_set, core_particle_set, vel, shell_vel, core_vel)

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Arguments:
POINTER
:: thermostat ...
POINTER
:: force_env ...
POINTER
:: molecule_kind_set(:) ...
POINTER
:: molecule_set(:) ...
POINTER
:: particle_set(:) ...
POINTER
:: local_molecules ...
POINTER
:: local_particles ...
INTEGER,
INTENT(in)
:: group ...
LOGICAL,
INTENT(in),
OPTIONAL
:: shell_adiabatic ...
OPTIONAL, POINTER
:: shell_particle_set(:) ...
OPTIONAL, POINTER
:: core_particle_set(:) ...
REAL(dp),
INTENT(inout),
OPTIONAL
:: vel(:,:) ...
REAL(dp),
INTENT(inout),
OPTIONAL
:: shell_vel(:,:) ...
REAL(dp),
INTENT(inout),
OPTIONAL
:: core_vel(:,:) ...

SUBROUTINEapply_thermostat_shells(thermostat, atomic_kind_set, particle_set, local_particles, group, shell_particle_set, core_particle_set, vel, shell_vel, core_vel)

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Arguments:
POINTER
:: thermostat ...
POINTER
:: atomic_kind_set(:) ...
POINTER
:: particle_set(:) ...
POINTER
:: local_particles ...
INTEGER,
INTENT(in)
:: group ...
OPTIONAL, POINTER
:: shell_particle_set(:) ...
OPTIONAL, POINTER
:: core_particle_set(:) ...
REAL(dp),
INTENT(inout),
OPTIONAL
:: vel(:,:) ...
REAL(dp),
INTENT(inout),
OPTIONAL
:: shell_vel(:,:) ...
REAL(dp),
INTENT(inout),
OPTIONAL
:: core_vel(:,:) ...

SUBROUTINEcreate_thermostats(thermostats, md_section, force_env, simpar, para_env, globenv, global_section)

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Arguments:
POINTER
:: thermostats ...
POINTER
:: md_section ...
POINTER
:: force_env ...
POINTER
:: simpar ...
POINTER
:: para_env ...
POINTER
:: globenv ...
POINTER
:: global_section ...