Releases: nomad-coe/atomistic-parsers
Releases · nomad-coe/atomistic-parsers
v1.0.4
v1.0.3
Zenodo publish
cff added (#133) Co-authored-by: jrudz <[email protected]>
Improved Input Parsing
- new
str_to_input_parameters()
function for more complete log parsing - restricted MDAnalysis and Gromacs versions for tpr parsing (MDAnalysis == 2.x.x, Gromacs != 2024.x)
Initial release
Use pypi pkgs (#128) * Use pypi pkgs * Fix pyproject