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partial bugfix (kokkos_omp test passes, fix_modify test virial yes still crashes)

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alphataubio
2024-08-02 11:59:57 -04:00
parent 24fc761396
commit 2ef1e9936f
5 changed files with 220 additions and 29 deletions
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3
src/fix_wall.cpp
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@ -27,8 +27,6 @@
using namespace LAMMPS_NS;
using namespace FixConst;
enum { XLO = 0, XHI = 1, YLO = 2, YHI = 3, ZLO = 4, ZHI = 5 };
static const char *wallpos[] = {"xlo", "xhi", "ylo", "yhi", "zlo", "zhi"};
/* ---------------------------------------------------------------------- */
@ -44,6 +42,7 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg), nwall
virial_global_flag = virial_peratom_flag = 1;
respa_level_support = 1;
ilevel_respa = 0;
ewall = new double[7];
// parse args