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follow LAMMPS programming style more closely

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This commit is contained in:
Axel Kohlmeyer
2025-06-25 18:41:26 -04:00
parent 5711acc9ef
commit f6befb18ae
1 changed files with 2 additions and 2 deletions
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src/REAXFF/fix_acks2_reaxff.cpp
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@ -136,7 +136,7 @@ void FixACKS2ReaxFF::pertype_parameters(char *arg)
eta = (double *) pair->extract("eta",tmp);
gamma = (double *) pair->extract("gamma",tmp);
bcut_acks2 = (double *) pair->extract("bcut_acks2",tmp);
auto bond_softness_ptr = (double *) pair->extract("bond_softness",tmp);
auto *bond_softness_ptr = (double *) pair->extract("bond_softness",tmp);
if (chi == nullptr || eta == nullptr || gamma == nullptr ||
bcut_acks2 == nullptr || bond_softness_ptr == nullptr)
@ -417,7 +417,7 @@ void FixACKS2ReaxFF::compute_X()
int jnum;
int i, j, ii, jj, flag;
double dx, dy, dz, r_sqr;
const double SMALL = 0.0001;
constexpr double SMALL = 0.0001;
int *type = atom->type;
tagint *tag = atom->tag;