- 2024.8.22 -- Bugfix: charts with multiple exes, plus units for force constants
- Add units for force constants (kJ/mol/Å^2,...)
- Fixed an issue naming axes in plots with multiple axes
- 2024.8.1 -- Added default units for viscosity and fixed a bug in handling dimensions
- Added more default units: dynamic viscosity (cP, etc) and kinematic viscosity (cSt, etc)
- Fixed a bug handling unit dimensions since the order changed in Pint. Now they are put in a standard alphabetical order.
- 2024.7.25 -- Added configuration file handler
- Added a configuration file handler that preserves comments in the file so that documentation is not stripped.
- 2024.7.15 -- Added temperature-energy conversions
- Added conversions from temeprature units, like K, to energy, like kJ/mol and vice versa.
- Used more of the Pint contexts, which should allow wavenumbers to frequency, etc.
- 2024.6.27 -- Added support for URI's
- Now recognize URI's in the form local:path/to/file
- An optional URI handler can be passed in to resolve such URI's.
- 2024.6.5 -- Bugfix: Handling of duplicates in lists
- Roundoff in floating point numbers caused some duplicates to be missed. The code now checks for duplicates in a more robust way.
- 2024.4.30 -- Added utility for handling list definitions
- Add list_definition.py with parse_list()
- Updated makefile for doctests.
- 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.