ICODE-ADC/lammps
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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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10
src/compute_improper_local.cpp
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@ -35,7 +35,7 @@ using namespace MathConst;
ComputeImproperLocal::ComputeImproperLocal(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg),
vlocal(NULL), alocal(NULL)
vlocal(nullptr), alocal(nullptr)
{
if (narg < 4) error->all(FLERR,"Illegal compute improper/local command");
@ -57,8 +57,8 @@ ComputeImproperLocal::ComputeImproperLocal(LAMMPS *lmp, int narg, char **arg) :
else size_local_cols = nvalues;
nmax = 0;
vlocal = NULL;
alocal = NULL;
vlocal = nullptr;
alocal = nullptr;
}
/* ---------------------------------------------------------------------- */
@ -73,7 +73,7 @@ ComputeImproperLocal::~ComputeImproperLocal()
void ComputeImproperLocal::init()
{
if (force->improper == NULL)
if (force->improper == nullptr)
error->all(FLERR,"No improper style is defined for compute improper/local");
// do initial memory allocation so that memory_usage() is correct
@ -135,7 +135,7 @@ int ComputeImproperLocal::compute_impropers(int flag)
if (cflag >= 0) cbuf = vlocal;
} else {
if (cflag >= 0 && alocal) cbuf = &alocal[0][cflag];
else cbuf = NULL;
else cbuf = nullptr;
}
}