v0.2.0

New features

• Infrastructure update to allow also updates with the photo acid.
• More robust checking for dihedral multiplicity
• Ability to specify all potential molecules separately from the actual molecules in the system

What's Changed

• Report_Update by @florianjoerg in #26
• Residue by @florianjoerg in #24
• Documentation by @florianjoerg in #15
• prob: make equilibrium setting more flexible by @florianjoerg in #28
• basic updates to docs by @florianjoerg in #29
• made function more flexibel for user input by @florianjoerg in #30
• start on psf problem by @florianjoerg in #32
• Doc bild by @florianjoerg in #31
• Psf fix2 by @florianjoerg in #33
• Update lint_python.yml by @florianjoerg in #34
• Revert "Update lint_python.yml" by @florianjoerg in #35
• started working on hpts by @godenymarta in #27
• Fix skipped tests in workflow by @florianjoerg in #37
• restructure by @florianjoerg in #36

New Contributors

• @godenymarta made their first contribution in #27

Full Changelog: v0.1.0...v0.2.0