ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

revert changes requested by @akohlmey

Browse Source
This commit is contained in:
alphataubio
2024-10-03 11:39:24 -04:00
parent b5fdd8f0ae
commit 4b43f90bd6
2 changed files with 5 additions and 3 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
src/REACTION/fix_bond_react.cpp
View File

@ -611,8 +611,6 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
FixBondReact::~FixBondReact() FixBondReact::~FixBondReact()
{ {
if (copymode) return; // needed for KOKKOS [alphataubio,2024/08]
for (int i = 0; i < narrhenius; i++) { for (int i = 0; i < narrhenius; i++) {
delete rrhandom[i]; delete rrhandom[i];
} }

6
src/REACTION/fix_bond_react.h
View File

@ -11,6 +11,10 @@
See the README file in the top-level LAMMPS directory. See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing Author: Jacob Gissinger (jgissing@stevens.edu)
------------------------------------------------------------------------- */
#ifdef FIX_CLASS #ifdef FIX_CLASS
// clang-format off // clang-format off
FixStyle(bond/react,FixBondReact); FixStyle(bond/react,FixBondReact);
@ -51,7 +55,7 @@ class FixBondReact : public Fix {
double compute_vector(int) override; double compute_vector(int) override;
double memory_usage() override; double memory_usage() override;
protected: private:
int newton_bond; int newton_bond;
int nreacts; int nreacts;
int *nevery; int *nevery;