Updating to master

This commit is contained in:
Joel Clemmer
2021-02-05 17:01:32 -07:00
1424 changed files with 53674 additions and 56307 deletions

View File

@ -1837,9 +1837,9 @@ void Pair::hessian_twobody(double fforce, double dfac, double delr[3], double ph
double Pair::memory_usage()
{
double bytes = comm->nthreads*maxeatom * sizeof(double);
bytes += comm->nthreads*maxvatom*6 * sizeof(double);
bytes += comm->nthreads*maxcvatom*9 * sizeof(double);
double bytes = (double)comm->nthreads*maxeatom * sizeof(double);
bytes += (double)comm->nthreads*maxvatom*6 * sizeof(double);
bytes += (double)comm->nthreads*maxcvatom*9 * sizeof(double);
return bytes;
}