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Merge branch 'master' into symbolic-atom-constants

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This commit is contained in:
Axel Kohlmeyer
2020-09-15 17:44:31 -04:00
parent 618b08dcfc cebf6d33ba
commit 0f6a34775c
1186 changed files with 8448 additions and 8360 deletions
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12
src/fix_ave_atom.cpp
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@ -35,8 +35,8 @@ enum{X,V,F,COMPUTE,FIX,VARIABLE};
FixAveAtom::FixAveAtom(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg),
nvalues(0), which(NULL), argindex(NULL), value2index(NULL),
ids(NULL), array(NULL)
nvalues(0), which(nullptr), argindex(nullptr), value2index(nullptr),
ids(nullptr), array(nullptr)
{
if (narg < 7) error->all(FLERR,"Illegal fix ave/atom command");
@ -64,7 +64,7 @@ FixAveAtom::FixAveAtom(LAMMPS *lmp, int narg, char **arg) :
value2index = new int[nvalues];
for (int i = 0; i < nvalues; i++) {
ids[i] = NULL;
ids[i] = nullptr;
if (strcmp(arg[i],"x") == 0) {
which[i] = X;
@ -376,7 +376,7 @@ void FixAveAtom::end_of_step()
} else if (which[m] == VARIABLE) {
if (array) input->variable->compute_atom(n,igroup,&array[0][m],nvalues,1);
else input->variable->compute_atom(n,igroup,NULL,nvalues,1);
else input->variable->compute_atom(n,igroup,nullptr,nvalues,1);
}
}
@ -394,7 +394,7 @@ void FixAveAtom::end_of_step()
nvalid = ntimestep+peratom_freq - (nrepeat-1)*nevery;
modify->addstep_compute(nvalid);
if (array == NULL) return;
if (array == nullptr) return;
// average the final result for the Nfreq timestep
@ -424,7 +424,7 @@ void FixAveAtom::grow_arrays(int nmax)
memory->grow(array,nmax,nvalues,"fix_ave/atom:array");
array_atom = array;
if (array) vector_atom = array[0];
else vector_atom = NULL;
else vector_atom = nullptr;
}
/* ----------------------------------------------------------------------