lcc_parser_mod Module Reference

This module controls the initialization of the variables. More...

Functions/Subroutines
subroutine, public	lcc_parse (filename, bld, ltt, cmp)
	Clustergen parser. More...
subroutine, public	lcc_make_sample_input ()
	Make a sample inputfile sample_input.in.
subroutine, public	lcc_write_coords (sy, bld, coordsout_file, verbose)
	Writes the coordinates to a file (coordsandbase.pdb) More...

Detailed Description

This module controls the initialization of the variables.

Function/Subroutine Documentation

lcc_parse()

subroutine, public lcc_parser_mod::lcc_parse	(	character(len=*), intent(in)	filename,
		type(build_type), intent(inout)	bld,
		type(lattice_type), intent(inout)	ltt,
		type(compute_type), intent(inout)	cmp
	)

Clustergen parser.

This module is used to parse all the input variables for this program. Adding a new input keyword to the parser:

• If the variable is real, we have to increase nkey_re.
• Add the keyword (character type) in the keyvector_re vector.
• Add a default value (real type) in the valvector_re.
• Define a new variable and pass the value through valvector_re(num) where num is the position of the new keyword in the vector.

  Parameters

  filename	File name for the input.
  bld	Build type.
  ltt	Lattice type.

lcc_write_coords()

subroutine, public lcc_parser_mod::lcc_write_coords	(	type(system_type)	sy,
		type(build_type)	bld,
		character(len=*)	coordsout_file,
		integer, intent(in)	verbose
	)

Writes the coordinates to a file (coordsandbase.pdb)

Parameters

sy	System type.
bld	Build type.
coordsout_file	File name to write the coordinates to.
verbose	Verbosity level.