v3.0.0-beta.10
github-actions
released this
25 Oct 14:05
·
6962 commits
to trunk-patch
since this release
Added
hoomd.md.minimize.FIRE
- MD integrator that minimizes the
system's potential energy.- Include example AKMA and MD unit conversion factors in the
documentation. BUILD_LLVM
CMake option (defaults off) to enable features that
require LLVM.hoomd.hpmc.pair.user.CPPPotential
- user-defined pair potentials
between particles in HPMC.hoomd.hpmc.pair.user.CPPPotentialUnion
- user-defined site-site
pair potentials between shapes in HPMC.hoomd.hpmc.external.user.CPPExternalPotential
- user-defined
external potentials in HPMC.- Support user-defined pair potentials in HPMC on the GPU.
Changed
- Improved documentation.
- Improved error messages when setting operation parameters.
- Noted some dependencies of dependecies for building documentation.
- [devlopers] Removed
m_comm
from most classes. Use
m_sysdef->isDomainDecomposed()
instead. - Add support for LLVM 12
ENABLE_LLVM=on
requires the clang development libraries.- [breaking] Renamed the Integrator attribute
aniso
to
integrate_rotational_dof
and removed the'auto'
option. Users
must now explicitly chooseintegrate_rotational_dof=True
to
integrate the rotational degrees of freedom in the system.
Fixed
- Calling
hoomd.Operations.__len__
no longer raises a
RecursionError
. - RATTLE integration methods execute on the GPU.
- Include
EvaluatorPairDLVO.h
in the installation for plugins. - Bug in setting zero sized
ManagedArrays
. - Kernel launch errors when one process uses different GPU devices.
- Race condition that lead to incorrect simulations with
md.pair.Table
. - Bug where some particle filers would have 0 rotational degrees of
freedom.
Removed
- The
BUILD_JIT
CMake option. - Support for LLVM <= 9.