From 4b43f90bd6901ab2e82b8c2ba2c608db3def3b0b Mon Sep 17 00:00:00 2001 From: alphataubio Date: Thu, 3 Oct 2024 11:39:24 -0400 Subject: [PATCH] revert changes requested by @akohlmey --- src/REACTION/fix_bond_react.cpp | 2 -- src/REACTION/fix_bond_react.h | 6 +++++- 2 files changed, 5 insertions(+), 3 deletions(-) diff --git a/src/REACTION/fix_bond_react.cpp b/src/REACTION/fix_bond_react.cpp index 2b853f1f3a..532724f26a 100644 --- a/src/REACTION/fix_bond_react.cpp +++ b/src/REACTION/fix_bond_react.cpp @@ -611,8 +611,6 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) : FixBondReact::~FixBondReact() { - if (copymode) return; // needed for KOKKOS [alphataubio,2024/08] - for (int i = 0; i < narrhenius; i++) { delete rrhandom[i]; } diff --git a/src/REACTION/fix_bond_react.h b/src/REACTION/fix_bond_react.h index 1faf4ff266..c3a92d91a0 100644 --- a/src/REACTION/fix_bond_react.h +++ b/src/REACTION/fix_bond_react.h @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +/* ---------------------------------------------------------------------- + Contributing Author: Jacob Gissinger (jgissing@stevens.edu) +------------------------------------------------------------------------- */ + #ifdef FIX_CLASS // clang-format off FixStyle(bond/react,FixBondReact); @@ -51,7 +55,7 @@ class FixBondReact : public Fix { double compute_vector(int) override; double memory_usage() override; - protected: + private: int newton_bond; int nreacts; int *nevery;