Limit atom energy change in fix dt/reset

Allow limiting of the maximum energy change of an atom in
fix dt/reset in addition to the existing distance limit.
Useful especially for high-energy irradiation.
This commit is contained in:
Risto Toijala
2018-05-23 15:24:04 +03:00
parent 0368202d12
commit b9a8f91753
3 changed files with 26 additions and 11 deletions

View File

@ -37,8 +37,8 @@ class FixDtReset : public Fix {
private:
bigint laststep;
int minbound,maxbound;
double tmin,tmax,xmax;
double ftm2v;
double tmin,tmax,xmax,emax;
double ftm2v,mvv2e;
double dt,t_laststep;
int respaflag;
};