35 |
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* |
36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
39 |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
40 |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
41 |
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*/ |
42 |
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|
43 |
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#ifndef UTILS_PHYSICALCONSTANTS_HPP |
44 |
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#define UTILS_PHYSICALCONSTANTS_HPP |
45 |
+ |
#include "config.h" |
46 |
+ |
#include <cmath> |
47 |
|
|
48 |
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namespace OpenMD { |
49 |
|
|
73 |
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*/ |
74 |
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const RealType viscoConvert = 1.439326479e4; |
75 |
|
|
76 |
+ |
/* |
77 |
+ |
* densityConvert |
78 |
+ |
* used for converting amu / Angstroms^3 into g / cm^3 |
79 |
+ |
*/ |
80 |
+ |
const RealType densityConvert = 1.66053886; |
81 |
+ |
|
82 |
|
/* |
83 |
|
* thermalConductivityConvert |
84 |
|
* multiplies standard input file units of |