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Axel Kohlmeyer
2025-06-25 00:17:30 -04:00
parent 8ca9aafff2
commit a92fa56a3e
1 changed files with 8 additions and 8 deletions
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16
src/MANIFOLD/fix_nve_manifold_rattle.cpp
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@ -93,7 +93,7 @@ FixNVEManifoldRattle::FixNVEManifoldRattle( LAMMPS *lmp, int &narg, char **arg,
max_iter = utils::inumeric( FLERR, arg[4] ,false,lmp);
ptr_m = create_manifold(arg[5], lmp, narg, arg);
if (!ptr_m) error->all(FLERR,"Error creating manifold pointer");
if (!ptr_m) error->all(FLERR, 5, "Error creating manifold pointer");
nvars = ptr_m->nparams();
tstrs = new char*[nvars];
@ -159,12 +159,12 @@ FixNVEManifoldRattle::~FixNVEManifoldRattle()
{
if (tstrs) {
for (int i = 0; i < nvars; ++i) {
delete [] tstrs[i];
delete[] tstrs[i];
}
delete [] tstrs;
delete[] tstrs;
}
if (tvars ) delete [] tvars;
if (tvars) delete[] tvars;
delete[] tstyle;
delete[] is_var;
}
@ -316,10 +316,10 @@ double FixNVEManifoldRattle::memory_usage()
{
double bytes = 0.0;
bytes += (double)sizeof(statistics);
bytes += (double)sizeof(*ptr_m) + sizeof(ptr_m);
bytes += (double)nvars*sizeof(double) + sizeof(double*);
bytes += (double)nvars*( sizeof(char*) + 3*sizeof(int) );
bytes += (double) sizeof(statistics);
bytes += (double) sizeof(*ptr_m) + sizeof(double *);
bytes += (double) nvars * sizeof(double) + sizeof(double *);
bytes += (double) nvars * (sizeof(char*) + 3 * sizeof(int));
return bytes;
}