diff --git a/src/MC/fix_sgcmc.cpp b/src/MC/fix_sgcmc.cpp index a2115bd5f6..c405421b7f 100644 --- a/src/MC/fix_sgcmc.cpp +++ b/src/MC/fix_sgcmc.cpp @@ -642,7 +642,7 @@ bool FixSemiGrandCanonicalMC::placeSamplingWindow() samplingWindowPosition += 1; // Compile a list of atoms that are inside the sampling window. - samplingWindowAtoms.resize(0); + samplingWindowAtoms.clear(); samplingWindowAtoms.reserve(atom->nlocal); numSamplingWindowAtoms = 0; numFixAtomsLocal = 0; diff --git a/unittest/force-styles/tests/mol-pair-hybrid-overlay.yaml b/unittest/force-styles/tests/mol-pair-hybrid-overlay.yaml index b067187cc6..d9dc27e594 100644 --- a/unittest/force-styles/tests/mol-pair-hybrid-overlay.yaml +++ b/unittest/force-styles/tests/mol-pair-hybrid-overlay.yaml @@ -2,7 +2,7 @@ lammps_version: 17 Feb 2022 date_generated: Fri Mar 18 22:17:30 2022 epsilon: 5e-13 -skip_tests: kokkos_omp +skip_tests: prerequisites: ! | atom full pair lj/cut diff --git a/unittest/force-styles/tests/mol-pair-hybrid_multiple.yaml b/unittest/force-styles/tests/mol-pair-hybrid_multiple.yaml index c46ee40b93..59a5098238 100644 --- a/unittest/force-styles/tests/mol-pair-hybrid_multiple.yaml +++ b/unittest/force-styles/tests/mol-pair-hybrid_multiple.yaml @@ -2,7 +2,7 @@ lammps_version: 8 Apr 2021 date_generated: Mon Apr 19 08:49:08 2021 epsilon: 5e-14 -skip_tests: gpu kokkos_omp +skip_tests: gpu prerequisites: ! | atom full pair lj/cut