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MRMD 0.4.0
Multi Resolution Molecular Dynamics
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Functions | |
| void | apply (data::Atoms &atoms, const real_t ¤tTemperature, const real_t &targetTemperature, const real_t &gamma) |
| Berendsen Thermostat DOI: 10.1063/1.448118. | |
| void mrmd::action::BerendsenThermostat::apply | ( | data::Atoms & | atoms, |
| const real_t & | currentTemperature, | ||
| const real_t & | targetTemperature, | ||
| const real_t & | gamma | ||
| ) |
Berendsen Thermostat DOI: 10.1063/1.448118.