0.4.0

What's Changed

• Added type hints and docstrings by @matterhorn103 in #6
• Fixes for Windows and internal restructuring by @matterhorn103 in #7
• Empty calculation directory instead of deleting it by @matterhorn103 in #9
• Add ability to set GFN method and optimization level by @matterhorn103 in #10
• Various bug fixes

Full Changelog: 0.3.1...0.4.0

0.3.1

• Hotfix for incorrect version formatting in plugin.json

0.3.0

• Allow user to set path to Open Babel binary manually
• Discovery of binaries is improved, standardized, and made a little more robust
• Fixed handling of directories (created if don't exist)
• Output stream is always UTF-8 (temporary fix for #2)
• Fix so that titleless menu no longer appears in menu bar
• Moved things around and standardized syntax/behaviour of run and calculation functions to ease interoperability with avo_crest (in development)

0.2.0

• Added install command to fetch xtb/crest from Grimme group repos
• Calculation directory now defaults to ~/avo_xtb not ~/xtb if plugin directory has no write permissions

0.1.1

v0.1.1

Prettier cjson formatting

0.1.0

Initial beta release