Documentation for module free_energy_types

defines types for metadynamics calculation

source: free_energy_types.F
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public Types:

ui_var_type
...
free_energy_type
...

public Subroutines/Functions:

creates the fe_env
SUBROUTINE
fe_env_release (fe_env)
releases the fe_env

public Types:

TYPE :: free_energy_type

...


INTEGER
:: ncolvar ...
INTEGER
:: type ...
INTEGER
:: nr_points ...
INTEGER
:: nr_rejected ...
POINTER :: conv_par ...
POINTER, DIMENSION(:) :: uivar ...
DIMENSION(:), POINTER :: cg_data ...
REAL(dp)
:: eps_conv ...
REAL(dp),
DIMENSION(:,:), POINTER :: covmx ...
:: plumed_input_file ...

TYPE :: ui_var_type

...


REAL(dp),
DIMENSION(:), POINTER :: ss ...
INTEGER
:: icolvar ...

SUBROUTINEfe_env_create(fe_env, fe_section)

creates the fe_env

Arguments:
POINTER
:: fe_env ...
POINTER
:: fe_section ...

SUBROUTINEfe_env_release(fe_env)

releases the fe_env

Arguments:
POINTER
:: fe_env ...

private Parameters/Types:

private Types:

TYPE :: statistical_type

...


REAL(dp),
DIMENSION(:), POINTER :: avg ...
REAL(dp),
DIMENSION(:,:), POINTER :: var ...

TYPE :: ui_conv_type

...


INTEGER
:: cg_width ...
INTEGER
:: max_cg_width ...
INTEGER
:: cg_points ...
REAL(dp)
:: eps_conv ...
REAL(dp)
:: k_conf_lm ...
REAL(dp)
:: sw_conf_lm ...
REAL(dp)
:: vn_conf_lm ...
LOGICAL
:: test_k ...
LOGICAL
:: test_sw ...
LOGICAL
:: test_vn ...