v4.8.0
·
44 commits
to trunk-patch
since this release
Added
hoomd.mpcd
reimplements the MPCD method for simulating hydrodynamic interactions. See the migrating page for an overview and individual class and method documentation for more information (#1784).- MPCD tutorial.
- Support numpy 2.0 (#1797)
hoomd.hpmc.external.External
provides an abstract interface to external potentials (#1811).hoomd.hpmc.external.Linear
computes the potential as a linear function of the distance from a point to a plane (#1811).HPMCIntegrator.external_potentials
sets the list of external potentials applied to the system (#1811).hpmc.pair.ExpandedGaussian
computes the expanded Gaussian pair potential in HPMC (#1817).
Changed
- Miscellaneous documentation improvements (#1786, #1800, #1820).
- Provide an error message for invalid Ellipsoid shape parameters (#1785).
- Provide the full CUDA error message when scanning devices (#1803).
- Test with gcc14, clang17, and clang18. No longer test with clang10, clang11, or clang12. (#1798, #1816).
- Ensure that Gaussian-type pair potentials have positive sigma values (#1810).
- Demonstrate
Step
andAngularStep
in the tutorial "Modelling Patchy Particles". - Fixed typographical errors in all tutorials.
Fixed
- Issue the proper error message when
ALJ.shape
is not set for all particle types (#1808). - Correctly apply Brownian torque when elements of the inertia tensor are 0 (#1825).
Deprecated
HPMCIntegrator.external_potential
- useHPMCIntegrator.external_potentials
(#1811).hoomd.hpmc.external.user.CPPExternalPotential
- usehoomd.hpmc.external.Linear
or write a custom component in C++ (#1811).
Removed
- Support for Python 3.8 (#1797).