Documentation for module extended_system_types

Lumps all possible extended system variables into one type for easy access and passing

source: extended_system_types.F
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public Types:

lnhc_parameters_type
...
npt_info_type
...
map_info_type
...

public Subroutines/Functions:

create the map_info type
SUBROUTINE
lnhc_dealloc (lnhc)
Deallocate type for Nose-Hoover thermostat
SUBROUTINE
lnhc_init (lnhc, section)
Initialize type for Nose-Hoover thermostat
release the map_info type

Parameters:

LOGICAL
:: debug_isotropic_limit = .false.
LOGICAL
:: debug_uniaxial_limit = .false.

public Types:

TYPE :: lnhc_parameters_type

...


INTEGER
:: nyosh ...
INTEGER
:: nc ...
INTEGER
:: nhc_len ...
INTEGER
:: glob_num_nhc ...
INTEGER
:: loc_num_nhc ...
INTEGER
:: region ...
REAL(dp)
:: tau_nhc ...
REAL(dp)
:: dt_fact ...
REAL(dp),
POINTER :: dt_yosh ...
POINTER :: nvt ...
POINTER :: map_info ...

TYPE :: map_info_type

...


INTEGER
:: dis_type ...
INTEGER,
POINTER, DIMENSION(:) :: index ...
INTEGER,
POINTER, DIMENSION(:) :: map_index ...
REAL(dp),
POINTER, DIMENSION(:) :: v_scale ...
REAL(dp),
POINTER, DIMENSION(:) :: s_kin ...
POINTER, DIMENSION(:,:) :: p_scale ...
POINTER, DIMENSION(:,:) :: p_kin ...

TYPE :: npt_info_type

...


REAL(dp)
:: eps ...
REAL(dp)
:: v ...
REAL(dp)
:: f ...
REAL(dp)
:: mass ...

SUBROUTINEcreate_map_info_type(map_info)

create the map_info type

Arguments:
POINTER
:: map_info ...

SUBROUTINElnhc_dealloc(lnhc)

Deallocate type for Nose-Hoover thermostat

Arguments:
POINTER
:: lnhc ...

SUBROUTINElnhc_init(lnhc, section)

Initialize type for Nose-Hoover thermostat

Arguments:
POINTER
:: lnhc ...
POINTER
:: section ...

SUBROUTINErelease_map_info_type(map_info)

release the map_info type

Arguments:
POINTER
:: map_info ...

private Parameters/Types:

private Types:

TYPE :: nhc_info_type

...


INTEGER
:: degrees_of_freedom ...
REAL(dp)
:: eta ...
REAL(dp)
:: v ...
REAL(dp)
:: f ...
REAL(dp)
:: nkt ...
REAL(dp)
:: mass ...

TYPE :: point_info_type

...


REAL(dp),
POINTER :: point ...