Documentation for module topology_psf

Functionality to read in PSF topologies and convert it into local data structures

source: topology_psf.F
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public Subroutines/Functions:

Input driven modification (IDM) of PSF defined structures
Post processing of PSF informations
Read PSF topology file Teodoro Laino - Introduced CHARMM31 EXT PSF standard format
Teodoro Laino - 01.2006 Write PSF topology file in the CHARMM31 EXT standard format

SUBROUTINEidm_psf(topology, section, subsys_section)

Input driven modification (IDM) of PSF defined structures

Arguments:
INTENT(inout)
:: topology ...
POINTER
:: section ...
POINTER
:: subsys_section ...

SUBROUTINEpsf_post_process(topology, subsys_section)

Post processing of PSF informations

Arguments:
INTENT(inout)
:: topology ...
POINTER
:: subsys_section ...

SUBROUTINEread_topology_psf(filename, topology, para_env, subsys_section, psf_type)

Read PSF topology file Teodoro Laino - Introduced CHARMM31 EXT PSF standard format

Arguments:
CHARACTER(*),
INTENT(in)
:: filename ...
INTENT(inout)
:: topology ...
POINTER
:: para_env ...
POINTER
:: subsys_section ...
INTEGER,
INTENT(in)
:: psf_type ...

SUBROUTINEwrite_topology_psf(file_unit, topology, subsys_section, force_env_section)

Teodoro Laino - 01.2006 Write PSF topology file in the CHARMM31 EXT standard format

Arguments:
INTEGER,
INTENT(in)
:: file_unit ...
INTENT(inout)
:: topology ...
POINTER
:: subsys_section ...
POINTER
:: force_env_section ...