src/utils/OOPSEConstant.hpp

/*
 * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project
 * 
 * Contact: oopse@oopse.org
 * 
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public License
 * as published by the Free Software Foundation; either version 2.1
 * of the License, or (at your option) any later version.
 * All we ask is that proper credit is given for our work, which includes
 * - but is not limited to - adding the above copyright notice to the beginning
 * of your source code files, and to any copyright notice that you may distribute
 * with programs based on this work.
 * 
 * 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 Lesser General Public License for more details.
 * 
 * You should have received a copy of the GNU Lesser General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
 *
 */

#ifndef UTILS_OOPSECONSTANT_HPP
#define UTILS_OOPSECONSTANT_HPP

namespace oopse {

    namespace OOPSEConstant {
         const double kb = 1.9872156E-3; // boltzman's constant in kcal/(mol K)
         const double kB = 8.31451e-7;// boltzmann constant amu*Ang^2*fs^-2/K
         const double energyConvert = 4.184E-4; // convert kcal/mol -> (amu A^2)/fs^2
         const double pressureConvert = 1.63882576e8; // //converts amu*fs^-2*Ang^-1 -> atm
    }
}
#endif 
Revision:	1822
Committed:	Thu Dec 2 02:08:29 2004 UTC (20 years, 11 months ago) by tim
File size:	1613 byte(s)
Log Message:	oopse get compiled, still has some linking problem
#	User	Rev	Content
1	tim	1804	/*
2			* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project
3			*
4			* Contact: oopse@oopse.org
5			*
6			* This program is free software; you can redistribute it and/or
7			* modify it under the terms of the GNU Lesser General Public License
8			* as published by the Free Software Foundation; either version 2.1
9			* of the License, or (at your option) any later version.
10			* All we ask is that proper credit is given for our work, which includes
11			* - but is not limited to - adding the above copyright notice to the beginning
12			* of your source code files, and to any copyright notice that you may distribute
13			* with programs based on this work.
14			*
15			* This program is distributed in the hope that it will be useful,
16			* but WITHOUT ANY WARRANTY; without even the implied warranty of
17			* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18			* GNU Lesser General Public License for more details.
19			*
20			* You should have received a copy of the GNU Lesser General Public License
21			* along with this program; if not, write to the Free Software
22			* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
23			*
24			*/
25
26			#ifndef UTILS_OOPSECONSTANT_HPP
27			#define UTILS_OOPSECONSTANT_HPP
28
29			namespace oopse {
30
31			namespace OOPSEConstant {
32	tim	1821	const double kb = 1.9872156E-3; // boltzman's constant in kcal/(mol K)
33			const double kB = 8.31451e-7;// boltzmann constant amuAng^2fs^-2/K
34			const double energyConvert = 4.184E-4; // convert kcal/mol -> (amu A^2)/fs^2
35	tim	1822	const double pressureConvert = 1.63882576e8; // //converts amufs^-2Ang^-1 -> atm
36	tim	1804	}
37			}
38			#endif