Releases: cslominski/hoomd-blue
Releases · cslominski/hoomd-blue
v3.0.0-beta.6
Added
md.pair.LJ0804
- 8,4 Lennard-Jones pair potential.md.nlist.Stencil
- Stencil algorithm to generate neighbor lists.md.nlist.Tree
- BVH algorithm to generate neighbor lists.hoomd.md.Force
,hoomd.md.Operation
, andhoomd.md.Operations
objects are now picklable.- Manifold constraints using RATTLE with
md.methods.NVE
,
md.methods.Langevin
andmd.methods.Brownian
- Supporting sphere, ellipsoid, plane, cylinder, gyroid, diamond,
and primitive manifolds.
- Supporting sphere, ellipsoid, plane, cylinder, gyroid, diamond,
md.compute.HarmonicAveragedThermodynamicQuantities
- More accurate
thermodynamic quantities for crystals
Changed
- Raise an exception when initializing systems with invalid particle
type ids.
Fixed
- Setting the operations attribute in
Simulation
objects in specific
circumstances. - Misc documentation updates.
'sim' is not defined
error when usingmd.dihedral
potentials.
Removed
- C++ implemtation of v2 logging infrastructure.