version 1.1062 | version 1.1063 |
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void correctMomentum(int step, BigReal drifttime); | void correctMomentum(int step, BigReal drifttime); |
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void saveForce(const int ftag = Results::normal); | void saveForce(const int ftag = Results::normal); |
void addForceToMomentum(BigReal, const int ftag = Results::normal, | void addForceToMomentum(BigReal, const int ftag = Results::normal, const int useSaved = 0); |
const int useSaved = 0, const int pressure = 0); | |
void addForceToMomentum3(const BigReal timestep1, const int ftag1, const int useSaved1, | void addForceToMomentum3(const BigReal timestep1, const int ftag1, const int useSaved1, |
const BigReal timestep2, const int ftag2, const int useSaved2, | const BigReal timestep2, const int ftag2, const int useSaved2, |
const BigReal timestep3, const int ftag3, const int useSaved3); | const BigReal timestep3, const int ftag3, const int useSaved3); |
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int checkpoint_berendsenPressure_count; | int checkpoint_berendsenPressure_count; |
void langevinPiston(int); | void langevinPiston(int); |
int slowFreq; | int slowFreq; |
| void newtonianVelocities(BigReal, const BigReal, const BigReal, |
| const BigReal, const int, const int, const int); |
void langevinVelocities(BigReal); | void langevinVelocities(BigReal); |
void langevinVelocitiesBBK1(BigReal); | void langevinVelocitiesBBK1(BigReal); |
void langevinVelocitiesBBK2(BigReal); | void langevinVelocitiesBBK2(BigReal); |