Releases: simongravelle/nmrformd
Releases · simongravelle/nmrformd
General improvement of code and documentation
- New best-practice and example added to the documentation
- Removed unnecessary step in the calculation
- Fixed anisotropic calculations
First working version
v0.1.0 corrected theory
Four part documentation and fixed issues
v0.0.9 prepared releave 0.0.9
Improved m012 analysis
v0.0.8 Merge branch 'main' of github.com:simongravelle/nmrformd into main
Include coarse graining
Merge pull request #1 from simongravelle/coarse_graining Coarse graining
test pypi
v0.0.6 deleted extra readme
Test pypi
v0.0.5 test readme
pypi test
v0.0.4 update changelog, added image to readme, created tag v0.0.3
pytest with coverage
v0.0.3 increased test coverage
NMRforMD v0.0.2
added tutorials