v3.0.0-beta.7
·
8917 commits
to trunk-patch
since this release
Added
md.constrain.Rigid
- Rigid body constraints.dem_built
,hpmc_built
,md_built
, andmpcd_built
to
hoomd.version
- flags that indicate when optional submodules have
been built.GPU.compute_capability
property.- [developers] pre-commit enforced style guidelines for the
codebase. - [developers] Validation tests for MD Lennard-Jones simulations.
- [developers] Unit tests for bond, angle, and dihedral potentials.
Changed
- Improved documentation on compiling HOOMD.
- Operations raise a
DataAccessError
when accessing properties that
are not available becauseSimulation.run
has not been called. TypeConversionError
is now in thehoomd.error
package.from_gsd_snapshot
only accesses the GSD snapshot on MPI rank 0.
Fixed
- Some broken references in the documentation.
- Missing documentation for
md.pair.TWF
. - Inconsistent documentation in
md.pair
. - Correctly identify GPUs by ID in
GPU.devices
. - Don't initialize contexts on extra GPUs on MPI ranks.
- Support 2D inputs in
from_gsd_snapshot
.
Deprecated
Snapshot.exists
- useSnapshot.communicator.rank == 0
instead.
Removed
- [developers] C++ implementations of
rescale_temp
and
enforce2d
. - [developers] Unused methods of
Integrator
.