Supported neighbor list builds for triclinic boxes on the GPU

This commit is contained in:
Trung Nguyen
2020-05-06 08:44:05 -05:00
parent 260e6bafd5
commit 229203bac0
57 changed files with 697 additions and 87 deletions

View File

@ -225,12 +225,6 @@ void FixGPU::init()
error->all(FLERR,"GPU package does not (yet) work with "
"atom_style template");
// neighbor list builds on the GPU with triclinic box is not yet supported
if ((_gpu_mode == GPU_NEIGH || _gpu_mode == GPU_HYB_NEIGH) &&
domain->triclinic)
error->all(FLERR,"Cannot use package gpu neigh yes with triclinic box");
// give a warning if no pair style is defined
if (!force->pair)