You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
voidDetermineStep(std::vector<double>& steplength,std::vector<std::vector<double>>& dpos,double& maxstep);//normalize large atomic displacements based on maxstep
43
43
voidUpdatePos(UnitCell& ucell);//update ucell with the new coordinates
0 commit comments