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Add release notes for v2.1.8
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mliu49 committed May 2, 2018
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Release Notes
*************

RMG-Py Version 2.1.8
====================
Date: March 22, 2018

- New features:
- Chlorine and iodine atom types have been added, bringing support for these elements to RMG-database
- Forbidden structures now support Molecule and Species definitions in addition to Group definitions

- Changes:
- Reaction pair generation will now fall back to generic method instead of raising an exception
- Removed sensitivity.py script since it was effectively a duplicate of simulate.py
- Thermo jobs in Cantherm now output a species dictionary
- Fitted atom energy corrections added for B3LYP/6-31g**
- Initial framework added for hydrogen bonding
- Renamed molepro module and associated classes to molpro (MolPro) to match actual spelling of the program
- Chemkin module is now cythonized to improve performance

- Fixes:
- Allow delocalization of triradicals to prevent hysteresis in resonance structure generation
- Fix reaction comment parsing issue with uncertainty analysis
- Fix numerical issue causing a number of pressure dependent RMG jobs to crash
- Template reactions from seed mechanisms are now loaded as library reactions if the original family is not loaded
- Fix issues with degeneracy calculation for identical reactants

RMG-database Version 2.1.8
==========================
Date: March 22, 2018

- Changes:
- Corrected name of JetSurf2.0 kinetics and thermo libraries to JetSurf1.0
- Added actual JetSurf2.0 kinetics and thermo libraries
- Updated thermo groups for near-aromatic radicals, including radical and polycyclic corrections


RMG-Py Version 2.1.7
====================
Date: February 12, 2018
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