v1.6.1

• Add option --ignore-CH3s (-igch3) which ignore CH pairs when they belongs to a CH3 group.
• Update doc and notebook04 with option -igch3
• Fix beta H reconstruction for Berger and GROMOSCPK POPS
• Update .readthedocs.yml

1.6.0

• Avoid output trajectory rewind when writing box dimensions
• Switch to MDAnalysis 2.0.0
• Add support of Python 3.9
• Improve docstrings

1.5.0

• Write box dimensions in the requested trajectory output
• Fix write duplicate 1st frame when a trajectory output is requested
• Avoid using universe.trajectory.time with on a single pdb
• Limit Python version >= 3.6 <=3.8 (for MDAnalysis compatibility)
• Add support for: Berger DOPC/DPPC/POPS, GROMOS-CKP POPC/POPS, GROMOS-53A6L DPPC, CHARMM36UA
• Force Python 3.8 for doc building

v1.4.0

• Add -v / --version option
• Reorganize doc
• Add Notebook04 (launch buildH as a module)
• Support Berger cholesterol
• Add Notebook05 (mixture POPC / cholesterol)
• Create buildH logo and add it to doc
• Add paper for JOSS
• Add community guidelines

v1.3.1

• Fix setup.cfg to include json files in python package archive

v1.3.0

• Complete documentation
• Accelerate functions within geometry.py with Numba
• Implement the use of buildH as a module
• Simplify calculation of CH on an sp3 carbon
• Use MyST parser for documentation (handles latex equations)
• Clarify some error messages
• Fix residue number exceeding 9999
• Add POPE def and json files
• Add Notebook01 (basic buildH analysis on a Berger traj)
• Add Notebook02 (+trajectory output)
• Add Notebook03 (analysis on a mixture POPC/POPE)
• Move CHARMM36 POPC validation to Zenodo

v1.2.0

• Build docs
• Rename '-x/--xtc' flag to -t/--traj' one to be more generic
• Replace mandatory topology argument to '-c/--coord' flag
• Improve performance of control functions.
• Move misc functions to a module utils.py
• Improve Exception handling & add proper exits
• Improve PEP8 & PEP257 compliance
• Improve test coverage
• Fix bug when a trajectory was written when only a pdb was provided.
• Add sanity checks for the various input files
• Use json files instead of python module to read lipid topologies.
• Optimize package for better performance

v1.1.0

• Create Python package structure
• Create conda environment
• Fix tests
• Separate entry point
• Update README for dev version installation
• Handle version with bump2version