History
- 2024.4.26 – Removed debug printing
Some debug printing was accidentally left in the code.
- 2024.4.22 – Moving user preferences to ~/.seamm.d
To better support Docker, moving ~/.seammrc to ~/.seamm.d/seamrc
Moved seamm.ini from ~/SEAMM to ~/seamm.d since it only contains personal preferences.
- 2023.11.12 – Internal update
Versioneer needed to be updated to account for changes in configparser.
- 2023.11.11 – Updated for changes in Zenodo
Zenodo updated and made small changes to their API, which required changes in SEAMM.
Consolidated all private information about the user and their keys for Zenodo in ~/.seammrc
- 2023.6.4 – Added more unit conversions to support thermochemistry
added E_h/K –> kJ/mol/K
- 2023.4.6 – Added more unit conversions to support Buckingham potentials
added e.g. eV*Å^6 to kcal/mol*Å^6 to support Buckingham pontetials
- 2023.2.28 – Added a compact JSON encoder
To make the schema-type JSON more human-readable.
- 2022.11.3 – More conversions involving substance (mol) to number
Added energy/mol/Å^2 –> energy/Å^2 for force constants
Added energy/mol/Å^3 –> energy/Å^3 for stress/pressure/elastic constants
- 0.1.0 (2017-12-07)
First release on PyPI.