Documentation for module gle_system_types

source: gle_system_types.F
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public Types:

gle_type
...

public Subroutines/Functions:

SUBROUTINE
gle_dealloc (gle)
Deallocate type for GLE thermostat
SUBROUTINE
gle_init (gle, dt, temp, section)
...
...

public Types:

TYPE :: gle_type

...


INTEGER
:: ndim ...
INTEGER
:: glob_num_gle ...
INTEGER
:: loc_num_gle ...
INTEGER
:: region ...
INTEGER,
DIMENSION(:), POINTER :: mal ...
REAL(dp)
:: temp ...
REAL(dp)
:: dt ...
REAL(dp)
:: dt_fact ...
REAL(dp),
POINTER :: gle_s ...
REAL(dp),
POINTER :: gle_t ...
REAL(dp),
POINTER :: a_mat ...
REAL(dp),
POINTER :: c_mat ...
POINTER :: nvt ...
POINTER :: map_info ...

SUBROUTINEgle_dealloc(gle)

Deallocate type for GLE thermostat

Arguments:
TYPE(gle_type),
POINTER
:: gle ...

SUBROUTINEgle_init(gle, dt, temp, section)

...

Arguments:
TYPE(gle_type),
POINTER
:: gle ...
REAL(dp),
INTENT(in)
:: dt ...
REAL(dp),
INTENT(in)
:: temp ...
POINTER
:: section ...

SUBROUTINEgle_thermo_create(gle, mal_size)

...

Arguments:
TYPE(gle_type),
POINTER
:: gle ...
INTEGER,
INTENT(in)
:: mal_size ...

private Parameters/Types:

private Types:

TYPE :: gle_thermo_type

...


INTEGER
:: degrees_of_freedom ...
REAL(dp)
:: nkt ...
REAL(dp)
:: kin_energy ...
REAL(dp)
:: thermostat_energy ...
REAL(dp),
DIMENSION(:), POINTER :: s ...
POINTER :: gaussian_rng_stream ...