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ComChemKit v0.000.2
Pre-release
Pre-release
Release build for ComChemKit
What's Changed
- icon by @lenhanpham in #1
- thermo module in windows interactive mode by @lenhanpham in #2
- Logo by @lenhanpham in #3
- Restructured loadfile submodule by @lenhanpham in #5
- Minor changes by @comchemkit in #6
- More thermo module's CLI arguments by @lenhanpham in #7
- Improved thermo help by @lenhanpham in #8
- Thermo module parallelization by @lenhanpham in #9
- Github action by @lenhanpham in #10
- Fixed extra keywords for gaussian inputs by @lenhanpham in #13
- Fixed statistic report of input creation module by @lenhanpham in #14
- added maxstep option to geo opt by @lenhanpham in #15
- Supported read in scrf keyword by @lenhanpham in #16
- Delete .gitignore by @lenhanpham in #17
- Supported TDDFT by @lenhanpham in #18
- removed test files by @lenhanpham in #19
- Pumped version and improved API docs by @lenhanpham in #20
New Contributors
- @comchemkit made their first contribution in #6
Full Changelog: https://github.com/lenhanpham/ComChemKit/commits/v0.000.2