rwmodel_mol.cpp File Reference

Library routines to read and write atomic model parameters. More...

#include "rwmodel.h"
#include "rwmolecule.h"
#include "model_links.h"
#include "model_util.h"
#include "linked_list.h"
#include "utilities.h"

Functions
Bmodel *	read_model_molecule (Bstring *file_list, Bstring &paramfile)
	Reads molecular model parameters. More...
int	write_model_molecule (Bstring &filename, Bmodel *model)
	Writes molecular model parameters. More...

Variables
int	verbose

Detailed Description

Library routines to read and write atomic model parameters.

Author

Bernard Heymann

Date

Created: 20060919

Modified: 20100302

Function Documentation

read_model_molecule()

Bmodel * read_model_molecule	(	Bstring *	file_list,
		Bstring &	paramfile
	)

Reads molecular model parameters.

Parameters

*file_list	list of model parameter file names.
&paramfile	parameter file.

Returns

Bmodel* model parameters.

write_model_molecule()

int write_model_molecule	(	Bstring &	filename,
		Bmodel *	model
	)

Writes molecular model parameters.

Parameters

&filename	model parameter file name.
*model	model parameters.

Returns

int models written.

Variable Documentation

verbose

int verbose

extern