ElementsTable.cpp File Reference

This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel. More...

#include "utils/ElementsTable.hpp"
#include <config.h>
#include <algorithm>
#include <cstdlib>
#include <fstream>
#include <iostream>
#include <string>
#include "io/ifstrstream.hpp"
#include "utils/simError.h"

Go to the source code of this file.

Namespaces
namespace	OpenMD
	This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.

Macros
#define	FILE_SEP_CHAR   "/"
#define	BUFF_SIZE   32768

Variables
ElementsTable	OpenMD::etab

Detailed Description

This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.

The code has been modified to match the OpenMD coding style.

We have retained the OpenBabel copyright and GPL license on this class:

Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc. Some portions Copyright (C) 2001-2005 by Geoffrey R. Hutchison

This file is part of the Open Babel project. For more information, see http://openbabel.sourceforge.net/

This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation version 2 of the License.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

Author

gezelter

Date

12/21/2007

Version

1.0

Definition in file ElementsTable.cpp.

Macro Definition Documentation

BUFF_SIZE

#define BUFF_SIZE   32768

Definition at line 51 of file ElementsTable.cpp.

FILE_SEP_CHAR

#define FILE_SEP_CHAR   "/"

Definition at line 47 of file ElementsTable.cpp.