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IMP Reference Guide  2.20.0
The Integrative Modeling Platform
atom/constants.h
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1 /**
2  * \file IMP/atom/constants.h
3  * \brief Define various useful constants for atomic simulations.
4  *
5  * Copyright 2007-2022 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPATOM_CONSTANTS_H
10 #define IMPATOM_CONSTANTS_H
11 
12 #include <IMP/atom/atom_config.h>
13 
14 IMPATOM_BEGIN_NAMESPACE
15 //! Return kT for a given temperature in units of [kcal/mol].
16 /** Value taken from
17  \external{https://en.wikipedia.org/wiki/Boltzmann_constant,Wikipedia}.
18 */
19 inline double get_kt(double T) { return 0.0019872041 * T; }
20 
21 IMPATOM_END_NAMESPACE
22 
23 #endif /* IMPATOM_CONSTANTS_H */
double get_kt(double T)
Return kT for a given temperature in units of [kcal/mol].