# | Line 49 | Line 49 | namespace oopse { | |
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49 | const double kB = 8.31451e-7;// boltzmann constant amu*Ang^2*fs^-2/K | |
50 | const double energyConvert = 4.184E-4; // convert kcal/mol -> (amu A^2)/fs^2 | |
51 | const double pressureConvert = 1.63882576e8; // //converts amu*fs^-2*Ang^-1 -> atm | |
52 | + | const double surfaceTensorConvert = 1.43936; // convert N/m to kcal/mol*Ang^-2 |
53 | } | |
54 | } | |
55 | #endif |
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