try half neigh list flag (still use full neighbor list)

mir-group · Oct 10, 2024 · e316519 · e316519
1 parent df717ee
commit e316519
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Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/.github/workflows/flare.yml b/.github/workflows/flare.yml
@@ -103,7 +103,7 @@ jobs:
 
     - name: Run LAMMPS tests with Kokkos
       run: |
-        export lmp="$(pwd)/lammps/build/lmp -k on t 4 -sf kk -pk kokkos newton on neigh full"
+        export lmp="$(pwd)/lammps/build/lmp -k on t 4 -sf kk -pk kokkos newton on neigh half"
         cd tests
         pytest test_lammps.py
 

diff --git a/lammps_plugins/kokkos/pair_flare_kokkos.cpp b/lammps_plugins/kokkos/pair_flare_kokkos.cpp
@@ -737,7 +737,7 @@ void PairFLAREKokkos<DeviceType>::init_style()
 
   // always request a full neighbor list
 
-  if (neighflag != FULL) {
+  if (neighflag != HALF) {
     error->all(FLERR,"Cannot use chosen neighbor list style with pair flare/kk");
   }
 

diff --git a/lammps_plugins/pair_flare.cpp b/lammps_plugins/pair_flare.cpp
@@ -239,7 +239,7 @@ void PairFLARE::coeff(int narg, char **arg) {
 void PairFLARE::init_style() {
   // Require newton on.
   if (force->newton_pair == 0)
-    error->all(FLERR, "Pair style requires newton pair on");
+    error->all(FLERR, "Pair style flare requires newton pair on");
 
   // Request a full neighbor list.
   neighbor->add_request(this, NeighConst::REQ_FULL);