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merge with current master

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This commit is contained in:
Steve Plimpton
2021-01-11 16:13:33 -07:00
parent 64257393b9 102a6eba79
commit 0b14770468
3275 changed files with 181008 additions and 818336 deletions
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6
src/compute_property_atom.cpp
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@ -1,6 +1,6 @@
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
https://lammps.sandia.gov/, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
@ -34,7 +34,7 @@ using namespace LAMMPS_NS;
ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg),
index(NULL), colindex(NULL), pack_choice(NULL)
index(nullptr), colindex(nullptr), pack_choice(nullptr)
{
if (narg < 4) error->all(FLERR,"Illegal compute property/atom command");
@ -481,7 +481,7 @@ void ComputePropertyAtom::compute_peratom()
(this->*pack_choice[0])(0);
} else {
if (nmax) buf = &array_atom[0][0];
else buf = NULL;
else buf = nullptr;
for (int n = 0; n < nvalues; n++)
(this->*pack_choice[n])(n);
}