v7.1.2

Fixed

• Fixed incorrect reading of net_force instead of acceleration in RATTLELangevin GPU code (#2325).

v7.1.1

Fixed

• Fixed incorrect reading of net_force instead of acceleration in RATTLELangevin GPU code (#2318).

v7.1.0

Added

• Added additional mesh exclusion 'meshbond_dynamic' for dynamical bond updater (#2297).

Fixed

• Fixed incorrect smart default behavior for sequences and numpy arrays (#2292).
• Prevent motion in the z direction on the first step after starting a simulation (#2303).
• Prevent rigid bodies from rotating out of the plane in 2D simulations (#2303).

v7.0.1

Fixed

• Fixed external component builds with Eigen 5.x (#2272).

v7.0.0

HOOMD-blue 7.0 writes GSD schema 2.0 files. Update your other software for compatibility:

• gsd >= 5.0
• Ovito >= 3.15.2
• gsd-vmd >= 0.6.0

HOOMD-blue 7.0 also changes the definition of the 3D rotation trial move size a (2D rotation moves are not changed). You will need to retune any hard-coded or saved values. Here are the distributions of the trial move rotation angles in HOOMD-blue 2.0--6.x and in 7.0+ for comparison:

Added

• hoomd.hpmc.integrate.HPMCIntegrator.translate_move_dimensions: Sets the dimensionality of HPMC translation moves, enabling interfacial confinement (xy) in 3D simulations (#2265).
• create_state_from_gsd can now read GSD schema 2.0 files (#2249).
• write.GSD and write.Burst can now write double precision values to GSD files. Set precision="double" to enable. The default value is "single", consistent with previous releases (#2249).

Changed

• Use tabs in binary installation documentation (#2246).
• Improve the sampling of 3D rotation trial moves (#2264).

Fixed

• Fixed Helfrich equation in the docs (#2242)
• Build with Eigen 5.x (#2261)

v6.1.1

Fixed

• Divide by zero with MPCD if rigid body has constituent with zero mass (#2228).
• Ensure that GSD files are always flushed on exit (#2236).
• Code examples in md.nlist, md.angle, md.bond, md.special_pair, md.compute, md.dihedral, md.force, md.integrate, and md.update now execute without errors (#2185).

v6.1.0

Added

• Support 2D simulations in hoomd.md.pair.friction (#2184).

Removed

• SIGTERM handler (#2209).

Fixed

• Table writer no longer errors on NaN scalar values (#2189).
• Table writer no longer errors on Inf scalar values (#2196).
• Fixed vertex neighbor check in dynamical bonding code (#2202).
• Fixed Helfrich energy calculation for logging (#2215)

v6.0.0

Added

• Implemented rigid body compatibility with MPCD without MPI (#2136).
• Add thermodynamically consistent frictional contact forces: hoomd.md.pair.friction (#2116).
• create_bodies method takes optional masses argument to set masses (#2169).

Fixed

• Use the provided alpha parameter in make_pppm_coulomb_forces (#2153).
• Add a unit test to verify that the export name of hoomd.hpmc.compute.FreeVolume, and resolved the existing export name conflicts (#2163).
• Scale move sizes correctly when the acceptance rate is 0 (#2174).

Changed

• Setting two tuples of type parameters like this lj.r_cut[('A', 'B'), ('C', 'D')] = ... now sets the parameters A-B and C-D. This is consistent with the behavior when setting more than two parameters. For example: lj.r_cut[('A', 'B'), ('C', 'D'), ('E', 'F')] = ... sets parameters for A-B, C-D, and E-F. In previous HOOMD-blue releases, the two-tuple code path was different (it would set A-C, A-D, B-C, and B-D). Update your scripts accordingly. (#2157)

v5.4.0

Added

• The Zetterling MD pair potential: hoomd.md.pair.Zetterling (#2086).
• The YLZ anisotropic MD pair potential: hoomd.md.pair.aniso.YLZ (#2110).
• Dynamic bond topologies with mesh potentials: hoomd.md.update.MeshDynamicalBonding (#2093).

Fixed

• Display vector math symbol correctly in the documentation (#2109).
• Display equations correctly in the documentation (#2118).

v5.3.1

Fixed

• Ensure that GPU devices have concurrent unified memory capabilities (#2099).
• Fix segfault when attaching nlists with meshes (#2089).
• Install cuh headers (#2091).
• Reduce the time needed to generate mesh bonds (#2097).
• Equations displayed in hoomd.hpmc.compute.SDF documentation (#2096).
• Support CUDA 12.9 (#2102).