| version 1.1091 | version 1.1092 |
|---|
| |
| Lattice origLattice; | Lattice origLattice; |
| | |
| //for accelMD | //for accelMD |
| | inline void calc_accelMDG_mean_std |
| | (BigReal testV, int step_n, |
| | BigReal *Vmax, BigReal *Vmin, BigReal *Vavg, BigReal *M2, BigReal *sigmaV); |
| | |
| | inline void calc_accelMDG_E_k |
| | (int iE, int V_n, BigReal sigma0, BigReal Vmax, BigReal Vmin, BigReal Vavg, BigReal sigmaV, |
| | BigReal* k0, BigReal* k, BigReal* E, int* iEused, char *warn); |
| | |
| | inline void calc_accelMDG_force_factor |
| | (BigReal k, BigReal E, BigReal testV, Tensor vir_orig, |
| | BigReal *dV, BigReal *factor, Tensor *vir); |
| | |
| | void write_accelMDG_rest_file |
| | (int step_n, char type, int V_n, BigReal Vmax, BigReal Vmin, BigReal Vavg, BigReal sigmaV, BigReal M2, |
| | BigReal E, BigReal k, bool write_topic, bool lasttime); |
| | |
| void rescaleaccelMD (int step, int minimize = 0); | void rescaleaccelMD (int step, int minimize = 0); |
| BigReal accelMDdVAverage; | BigReal accelMDdVAverage; |
| | |