Version 2.15.0

What's Changed

• Make atomic displacement parameters optional by @mlund in #451

Full Changelog: v2.14.0...v2.15.0

Version 2.14.0

What's Changed

• Add harmonic potential to constraint by @mlund in #445
• Output inter-particle bond info by @mlund in #450
• Clang tidy fixes by @mlund in #447
• Apply clang format by @mlund in #449
• Update list of contributers by @mlund in #446

Full Changelog: v2.13.0...v2.14.0

Version 2.13.0

What's Changed

• Voronoi surface area analysis using Voronota-LT by @mlund in #444
• Version bump of spdlog, pybind11, nlohmann_json.
• Dangling reference fix (b0fee39)

Full Changelog: v2.12.0...v2.13.0

Version 2.12.0

What's Changed

• Write state file for minimum system energy by @mlund in #442
• changed misspelled mininum to minimum in files by @IVinterbladh in #443
• yason.py support script now requires the ruamel.yaml python package

Full Changelog: v2.11.0...v2.12.0

Version 2.11.0

What's Changed

• Add SASA analysis and test by @Smutekj in #399
• Add save_min_conf to systemenergy analysis to save minimum energy configuration. By @mlund in #440
• Use upstream ruamel.yaml instead of ruamel_yaml by @mbargull in #435
• Update versions of external libraries
• Fix readthedocs setup
• Fix Github CI for C++20 by @mlund in #439

New Contributors

• @mbargull made their first contribution in #435

Full Changelog: v2.10.1...v2.11.0

Version 2.10.1

Changes

• Fix install target for anglescan examples

Full Changelog: v2.10.0...v2.10.1

Version 2.10.0

What's Changed

• Support for Gibbs ensemble for studying phase equilibria.
  • Gibbs ensemble: volume exchange by @mlund in #430
  • Gibbs ensemble: matter exchange by @mlund in #431
• Updated documentation about multipole analysis by @IVinterbladh in #432
• Add Random slump parameter for tempering by @IVinterbladh in #434. This should make it possible to use grand canonical schemes with parallel tempering.

Full Changelog: v2.9.1...v2.10.0

Version 2.9.1

Changes

• Fix "progresstracker" compilation error on some systems, incl.

Full Changelog: v2.9.0...v2.9.1

Version 2.9.0

What's Changed

• Add a preface section to the user input which may contain a list of actions to be run prior to simulation. The discrete angle
  analysis below is an example of this.
• Added --norun command line option to skip simulation.
• Discrete angle integration by @mlund in #427
  This allows for explicit angular integration of two rotating, rigid bodies. Energies and quaternions are streamed to disk and free energies and thermally averaged energies are reported.
• Update minimum cmake version stated in manual by @SHervoe-Hansen in #424
• Add VSC dev container config files by @mlund in #425
• Enabled OpenMP by default

Full Changelog: v2.8.0...v2.9.0

Version 2.8.0

What's Changed

• Fix speciation moves for parallel tempering by @mlund in #419
• Custom group to group pair-potential by @mlund in #421
• Rename namespace and base classes by @mlund in #422
• Upgrade nanobench from v3 to v4 by @mlund in #423
• Table cleanup by @mlund in #420
• Fix GCC warnings

Full Changelog: v2.7.0...v2.8.0