0.2.1

Fixed

• Flush GSD files in WriteTrajectory for HOOMD simulations. This fixes an error in HOOMD 4 that may have caused GSD files to not contain data (#262).
• Ensure steps get converted to integers for LAMMPS simulations. This fixes an error for integer values represented as floats (#263).
• Convert README to Markdown format to fix rendering on PyPI (#264).

0.2.0

Added

• NumPy 2 is supported (#253).
• Python 3.12 is supported (#256).
• LAMMPS 2Aug2023 is tested (#256).
• HOOMD 4 is supported (#257).

Fixed

• Scale factors for steepest descent methods and line search to work as documented (#252). The steepest descent was previously off by a square root, and the line search did not use them.
• README will display correctly on PyPI (#254).
• Potential name clashes when loading from JSON files are resolved more robustly (#255). Names can now be overridden or ignored. This fixes rare issues iteratively loading files.

0.1.1

Added

• freud 3 is now supported (#239).

Fixed

• L_z for 2D boxes is set correctly in both HOOMD 2 and HOOMD 3 (#232).
• For mixtures, g_ij is now calculated using both type i and type j as centers. In general, the RDF now uses the standard statistical mechanics definition, i.e., for an ideal gas g(r) = 1-1/N and not 1 (#246).

Changed

• GitHub Actions versions are now current and will be automatically updated moving forward (#240).

0.1.0

Initial release.