Documentation for module fp_types

types used in the flexible partitioning scheme

source: fp_types.F
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public Types:

fp_type
...

public Subroutines/Functions:

SUBROUTINE
fp_env_create (fp_env)
create retain release the flexible partitioning environment
reads the corresponding input section and stores it in the fp_env
SUBROUTINE
fp_env_release (fp_env)
...
SUBROUTINE
fp_env_retain (fp_env)
...
writes information concerning the fp_env to the output

public Types:

TYPE :: fp_type

...


LOGICAL
:: use_fp ...
INTEGER
:: ref_count ...
INTEGER
:: central_atom ...
INTEGER,
DIMENSION(:), POINTER :: inner_atoms ...
INTEGER,
DIMENSION(:), POINTER :: outer_atoms ...
REAL(dp)
:: inner_radius ...
REAL(dp)
:: outer_radius ...
REAL(dp)
:: strength ...
REAL(dp)
:: smooth_width ...
LOGICAL
:: bias ...
REAL(dp)
:: temperature ...
POINTER :: print_section ...
INTEGER
:: i1 ...
INTEGER
:: i2 ...
INTEGER
:: o1 ...
INTEGER
:: o2 ...
REAL(dp)
:: ri1 ...
REAL(dp)
:: ri2 ...
REAL(dp)
:: ro1 ...
REAL(dp)
:: ro2 ...
REAL(dp)
:: weight ...
REAL(dp)
:: comb_weight ...
REAL(dp)
:: bias_weight ...
REAL(dp)
:: energy ...
REAL(dp)
:: bias_energy ...
REAL(dp)
:: restraint_energy ...

SUBROUTINEfp_env_create(fp_env)

create retain release the flexible partitioning environment

Arguments:
TYPE(fp_type),
POINTER
:: fp_env ...

SUBROUTINEfp_env_read(fp_env, fp_section)

reads the corresponding input section and stores it in the fp_env

Arguments:
TYPE(fp_type),
POINTER
:: fp_env ...
POINTER
:: fp_section ...

SUBROUTINEfp_env_release(fp_env)

...

Arguments:
TYPE(fp_type),
POINTER
:: fp_env ...

SUBROUTINEfp_env_retain(fp_env)

...

Arguments:
TYPE(fp_type),
POINTER
:: fp_env ...

SUBROUTINEfp_env_write(fp_env, fp_section)

writes information concerning the fp_env to the output

Arguments:
TYPE(fp_type),
POINTER
:: fp_env ...
POINTER
:: fp_section ...