From f6befb18aec89599cd9b7299dccf26d74ec94720 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 25 Jun 2025 18:41:26 -0400 Subject: [PATCH] follow LAMMPS programming style more closely --- src/REAXFF/fix_acks2_reaxff.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/REAXFF/fix_acks2_reaxff.cpp b/src/REAXFF/fix_acks2_reaxff.cpp index 2692d7eeca..f1edd74d34 100644 --- a/src/REAXFF/fix_acks2_reaxff.cpp +++ b/src/REAXFF/fix_acks2_reaxff.cpp @@ -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;