v0.5.0

What's Changed

• Update to freud 3.0, use get_molecule_cluster from cmeutils by @chrisjonesBSU in #79

Full Changelog: v0.4.2...v0.5.0

v0.4.2

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #72
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #73
• Fix RTD build by @jennyfothergill in #75
• Add stride parameter when saving coarse-grained trajectories by @chrisjonesBSU in #74
• Add docker builder by @jennyfothergill in #77
• Fix versioning by @jennyfothergill in #78

Full Changelog: v0.4.1...v0.4.2

v0.4.1

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #69
• Fix parameter name passed in visualize for showing ports by @chrisjonesBSU in #70
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #71

Full Changelog: v0.4.0...v0.4.1

v0.4.0

What's Changed

• Aniso CG implementation by @RainierBarrett in #54
• Save angle and dihedrals in CG snapshots by @marjanalbouye in #65

New Contributors

• @RainierBarrett made their first contribution in #54
• @marjanalbouye made their first contribution in #65

Full Changelog: v0.3.0...v0.4.0

v0.3.0

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #43
• Populate snapshot.bonds.types and snapshot.bonds.typeid by @chrisjonesBSU in #46
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #47
• Correctly set the mass when creating mb.Compound from a Snapshot; add mass_scale parameter by @chrisjonesBSU in #49
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #48
• Update GSD version, and fix hydrogen mapping by @chrisjonesBSU in #53
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #55
• Fix readthedocs build by @jennyfothergill in #57
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #56
• clean up setup.py file for making conda-forge recipe by @chrisjonesBSU in #58

New Contributors

• @chrisjonesBSU made their first contribution in #46

Full Changelog: v0.2.2...v0.3.0

v0.2.2

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #29
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #30
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #31
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #33
• Set mass of CG_Compound and CG_System by @jennyfothergill in #32
• Update workflows by @jennyfothergill in #34
• Update docs by @jennyfothergill in #35
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #36
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #37
• Update build action to push to quay by @jennyfothergill in #38
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #39
• Add version tracking through git by @jennyfothergill in #42

Full Changelog: v0.2.1...v0.2.2

v0.2.0

What's Changed

• Add CG_System class by @jennyfothergill in #19

v0.1.0

• Updated the format used to specify a mapping
• Coarse-graining functions save all information needed for backmapping
• Backmapping function only requires a CG_Compound instance
• Backmapping logic simplified -- no distance based criteria
• Atomistic structure from backmap is rotated slightly to help bonding