Documentation for module barostat_types

Barostat structure: module containing barostat available for MD

source: barostat_types.F
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public Types:

barostat_type
...

public Subroutines/Functions:

...
...
retains the given barostat

Parameters:

INTEGER
:: do_clv_fix_point = 1
INTEGER
:: do_clv_geo_center = 0
INTEGER
:: do_clv_x = 1
INTEGER
:: do_clv_xy = 4
INTEGER
:: do_clv_xyz = 0
INTEGER
:: do_clv_xz = 5
INTEGER
:: do_clv_y = 2
INTEGER
:: do_clv_yz = 6
INTEGER
:: do_clv_z = 3

public Types:

TYPE :: barostat_type

...


INTEGER
:: id_nr ...
INTEGER
:: ref_count ...
INTEGER
:: type_of_barostat ...
INTEGER
:: virial_components ...
REAL(dp)
:: temp_ext ...
POINTER :: npt ...
POINTER :: section ...

SUBROUTINEcreate_barostat_type(barostat, md_section, force_env, simpar, globenv)

...

Arguments:
POINTER
:: barostat ...
POINTER
:: md_section ...
POINTER
:: force_env ...
POINTER
:: simpar ...
POINTER
:: globenv ...

SUBROUTINErelease_barostat_type(barostat)

...

Arguments:
POINTER
:: barostat ...

SUBROUTINEretain_barostat_type(barostat)

retains the given barostat

Arguments:
POINTER
:: barostat ...