v3.5.0
github-actions
released this
14 Sep 18:31
·
3041 commits
to trunk-patch
since this release
Added
- Example plugin that demonstrates how to add a MD pair potential.
- Support a large number of particle and bond types (subject to
available GPU memory and user patience) for theCell
neighbor
list, MD pair potentials, MD bond potentials, Brownian, and Langevin
integration methods.
Changed
- Raise an error when initializing with duplicate types.
hpmc.compute.SDF
now computes pressures of systems with patch
interactions.- Raise descriptive error messages when the shared memory request
exceeds that available on the GPU.
Fixed
- Include all
Neighborlist
attributes in the documentation. - Memory allocation errors in C++ now result in
MemoryError
exceptions in Python. - Add missing
Autotuned.h
header file. - External components build correctly when
ENABLE_MPI=on
or
ENABLE_GPU=on
. - Type parameter validation when items contain
numpy.ndarray
elements. - Compile with CUDA 12.0.
Deprecated
Device.memory_traceback
attribute. This attribute has no effect.