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IMP Reference Guide  2.12.0
The Integrative Modeling Platform
atom/constants.h
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1 /**
2  * \file IMP/atom/constants.h \brief Define the elements used in \imp.
3  *
4  * Copyright 2007-2019 IMP Inventors. All rights reserved.
5  *
6  */
7 
8 #ifndef IMPATOM_CONSTANTS_H
9 #define IMPATOM_CONSTANTS_H
10 
11 #include <IMP/atom/atom_config.h>
12 
13 IMPATOM_BEGIN_NAMESPACE
14 //! Return kT for a given temperature in units of [kcal/mol].
15 /** Value taken from
16  \external{http://en.wikipedia.org/wiki/Boltzmann_constant,Wikipedia}.
17 */
18 inline double get_kt(double T) { return 0.0019872041 * T; }
19 
20 IMPATOM_END_NAMESPACE
21 
22 #endif /* IMPATOM_CONSTANTS_H */
double get_kt(double T)
Return kT for a given temperature in units of [kcal/mol].