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/***************************************************************************
* RCS INFORMATION:
*
* $RCSfile: unit_conversion.h,v $
* $Author: akohlmey $ $Locker: $ $State: Exp $
* $Revision: 1.3 $ $Date: 2009/06/26 01:13:39 $
*
***************************************************************************/
/******************************************************************
*
* unit conversion factors.
*
******************************************************************/
#ifndef UNIT_CONVERSION_H
#define UNIT_CONVERSION_H
/*
* units according to CODATA 2006
* Version 5.1, http://physics.nist.gov/constants
*/
/* convert Bohr to Angstrom */
#define BOHR_TO_ANGS 0.529177210859
#define ANGS_TO_BOHR 1.88972612478289694072
/* convert Hartree into kcal/mol */
#define HARTREE_TO_KCAL 627.5094706142
/* convert Hartree into eV */
#define HARTREE_TO_EV 27.211383860484776
#endif /* UNIT_CONVERSION */
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