1.3.1

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #133
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #134
• Update MacOS images used in os-matrix in CI workflow by @chrisjonesBSU in #135
• Add ruff-precommit, remove pydocstyle by @chrisjonesBSU in #138
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #139
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #140
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #141
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #142
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #143
• Update dependancies by @chrisjonesBSU in #144

Full Changelog: 1.3.0...1.3.1

v1.3.0

What's Changed

• Update installation guide and add citation by @marjanalbooyeh in #117
• Add type check for forcefield parameter in Simulation by @chrisjonesBSU in #118
• Update README by @chrisjonesBSU in #123
• Bug fix in Interface to duplicate and shift along the correct axis by @chrisjonesBSU in #125
• Including testing tutorial notebooks in PR unit CI workflow by @chrisjonesBSU in #127
• Fix Lattice system class for coarse-grained molecules by @chrisjonesBSU in #129
• Add classes for simulating ellipsoid polymer systems. by @chrisjonesBSU in #102
• Release 1.3.0; update environment files. by @chrisjonesBSU in #132

Full Changelog: 1.2.0...1.3.0

v1.2.0

What's Changed

• Update wetting tutorial visualization by @marjanAlbouye in #101
• Align chains along z-axis when using system.Lattice by @chrisjonesBSU in #107
• Fix import for add_void_particles in modules.welding.utils by @chrisjonesBSU in #108
• Add KremerGrestBeadSpring class to library.forcefields, remove r_cut from various Simulation classes. by @chrisjonesBSU in #109
• Add ability to use number density when calculating target box lengths for shrinking and NVT. by @chrisjonesBSU in #112
• We can now use two GSD files in welding.Interface by @chrisjonesBSU in #113

New Contributors

• @erjank made their first contribution in #103

Full Changelog: 1.1.1...1.2.0

v1.1.1

What's Changed

• fix setup.py to install all modules by @chrisjonesBSU in #99

Full Changelog: 1.1.0...1.1.1

v1.1.0

What's Changed

• Add initial classes for surface wetting module by @chrisjonesBSU in #90
• Add need statement to main docs page by @RainierBarrett in #92
• Graphene now inherits from Molecule by @chrisjonesBSU in #93
• Fix hyperlink for TRUE by @chrisjonesBSU in #94
• Add more descriptions to tutorials, update links to base code by @marjanAlbouye in #95
• Update README and documentation with new installation instructions. by @chrisjonesBSU in #98
• Add surface wetting module by @chrisjonesBSU in #96

Full Changelog: 1.0.0...1.1.0

release 1.0.0

What's Changed

• Add/unit tests by @chrisjonesBSU in #3
• add doc strings to Systems by @chrisjonesBSU in #4
• Add/unit tests by @chrisjonesBSU in #5
• more tests for Simulation by @chrisjonesBSU in #6
• Make LJ chain class more flexible, add unit tests by @chrisjonesBSU in #7
• Add DisplacementCapped Integrator to simulation by @marjanAlbouye in #9
• Refactoring hoomd polymers by @marjanAlbouye in #8
• Refactor by @chrisjonesBSU in #10
• Change hoomd_polymers to hoomd_organics by @marjanAlbouye in #26
• include assets dir in setup.py by @chrisjonesBSU in #27
• Fix for Lattice box and Tensile simulation. Add more unit tests by @chrisjonesBSU in #29
• update pytest codecov links, remove old code from README by @chrisjonesBSU in #30
• Update and simplify environment files by @chrisjonesBSU in #32
• Add system and utils unit tests by @marjanAlbouye in #34
• Fix scale charges, add unit tests by @chrisjonesBSU in #33
• Move reference values unit validation to utils by @marjanAlbouye in #36
• Fix mismatched gmso residue name when molecule is loaded from mol2 by @marjanAlbouye in #37
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #43
• Updates to remove hydrogens by @chrisjonesBSU in #44
• Update simulation interface and add density to update_volume by @marjanAlbouye in #42
• add write_at_start parameters to run functions by @chrisjonesBSU in #46
• Add GSD Logger and Pressure Tensor by @chrisjonesBSU in #53
• Change behavior of hoomd object properties by @chrisjonesBSU in #56
• Migrate to hoomd v4 by @marjanAlbouye in #54
• Update to GSD 3 by @chrisjonesBSU in #57
• Refactor apply_forcefield by @chrisjonesBSU in #61
• Complete docstrings by @marjanAlbouye in #50
• Update apply_forcefield and molecule forcefield by @marjanAlbouye in #62
• Tutorials by @marjanAlbouye in #38
• Add graphene surface to library by @chrisjonesBSU in #67
• Update readthedoc setup by @marjanAlbouye in #66
• Dockerfile with GPU support by @RainierBarrett in #40
• Add table potential class to forcefields library by @chrisjonesBSU in #65
• Finish welding tutorial by @chrisjonesBSU in #49
• Change name from hoomd-organics to jankflow by @marjanAlbouye in #68
• remove box resizer in run_update_volume by @chrisjonesBSU in #70
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #71
• Update package name to flower by @marjanAlbouye in #72
• Set logger to log hours+mins for mins>60 by @RainierBarrett in #73
• Fix translation in Lattice by @chrisjonesBSU in #74
• fix assets in setup.py by @chrisjonesBSU in #75
• update assets path in setup by @marjanAlbouye in #77
• Joss paper md files by @marjanAlbouye in #69
• fix asset paths by @chrisjonesBSU in #79
• Address JOSS prereview comments by @marjanAlbouye in #80
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #81
• Fix charge units when charge is 0 by @chrisjonesBSU in #82
• Fix PEKK, remove random_sequence parameter from CoPolymer by @chrisjonesBSU in #83
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #84
• Round minutes in StdOutLogger; add forcefield pickle method to System, fix write mode in to_gsd, add flush_writers method and add parameter for max buffer size. by @chrisjonesBSU in #85
• JOSS: Fix 2 spelling typos, and correct hoomd citaiton by @chrisjonesBSU in #86
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #88
• Update environment.yml to use conda-forge versions of grits and cmeutils by @chrisjonesBSU in #89

New Contributors

• @chrisjonesBSU made their first contribution in #3
• @marjanAlbouye made their first contribution in #9
• @pre-commit-ci made their first contribution in #43
• @RainierBarrett made their first contribution in #40

Full Changelog: https://github.com/cmelab/flowerMD/commits/1.0.0