# | Line 83 | Line 83 | double Thermo::getTemperature(){ | |
---|---|---|
83 | ||
84 | double Thermo::getTemperature(){ | |
85 | ||
86 | < | const double kb = 1.88E-3; // boltzman's constant in kcal/(mol K) |
86 | > | const double kb = 1.9872179E-3; // boltzman's constant in kcal/(mol K) |
87 | double temperature; | |
88 | ||
89 | int ndf = 3 * entry_plug->n_atoms + 3 * entry_plug->n_oriented |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |