Documentation for module input_cp2k_thermostats

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source: input_cp2k_thermostats.F
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public Subroutines/Functions:

Creates the coord section
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Creates the mass section
Creates a section to arbitrary define a region to thermostat
Specifies parameter for thermostat for constant temperature ensembles
Specifies parameter for thermostat for constant temperature ensembles
Specifies parameter for thermostat for constant temperature ensembles
Creates the velocity section

SUBROUTINEcreate_coord_section(section, name)

Creates the coord section

Arguments:
POINTER
:: section the section to create
CHARACTER(*),
INTENT(in)
:: name ...

SUBROUTINEcreate_gle_section(section)

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Arguments:
POINTER
:: section ...

SUBROUTINEcreate_mass_section(section, name)

Creates the mass section

Arguments:
POINTER
:: section the section to create
CHARACTER(*),
INTENT(in)
:: name ...

SUBROUTINEcreate_region_section(section, label)

Creates a section to arbitrary define a region to thermostat

Arguments:
POINTER
:: section will contain the coeff section
CHARACTER(*),
INTENT(in)
:: label ...

SUBROUTINEcreate_thermostat_section(section, coupled_thermostat)

Specifies parameter for thermostat for constant temperature ensembles

Arguments:
POINTER
:: section will contain the coeff section
LOGICAL,
INTENT(in),
OPTIONAL
:: coupled_thermostat ...

SUBROUTINEcreate_thermo_fast_section(section, coupled_thermostat)

Specifies parameter for thermostat for constant temperature ensembles

Arguments:
POINTER
:: section will contain the coeff section
LOGICAL,
INTENT(in),
OPTIONAL
:: coupled_thermostat ...

SUBROUTINEcreate_thermo_slow_section(section, coupled_thermostat)

Specifies parameter for thermostat for constant temperature ensembles

Arguments:
POINTER
:: section will contain the coeff section
LOGICAL,
INTENT(in),
OPTIONAL
:: coupled_thermostat ...

SUBROUTINEcreate_velocity_section(section, name)

Creates the velocity section

Arguments:
POINTER
:: section the section to create
CHARACTER(*),
INTENT(in)
:: name ...