properly initialize eflag/vflag and all related properties

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Axel Kohlmeyer 2020-01-15 13:42:50 -05:00
parent 500363ab83
commit f05175eb1d
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1 changed files with 2 additions and 2 deletions

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@ -118,8 +118,8 @@ void PairMesoCNT::compute(int eflag, int vflag)
double dq_p1[3][3],dq_p2[3][3];
double temp[3][3];
if (eflag || vflag) ev_setup(eflag,evflag);
else evflag = vflag_fdotr = 0;
evdwl = 0.0;
ev_init(eflag,vflag);
double **x = atom->x;
double **f = atom->f;