diff --git a/documentation/source/users/rmg/releaseNotes.rst b/documentation/source/users/rmg/releaseNotes.rst index 168c1244be..4f0a316598 100644 --- a/documentation/source/users/rmg/releaseNotes.rst +++ b/documentation/source/users/rmg/releaseNotes.rst @@ -4,6 +4,39 @@ Release Notes ************* +RMG-Py Version 2.1.5 +==================== +Date: October 18, 2017 + +- New bicyclic formula: + - Estimates polycyclic corrections for unsaturated bicyclics by adjusting the correction for the saturated version + - Can provide a decent estimate in many cases where there is not an exact match + +- Other changes: + - Refactored simulation algorithm to properly add multiple objects per iteration + - Print equilibrium constant and reverse rate coefficient values when using Cantherm to calculate kinetics + - Speed up degeneracy calculation by reducing unnecessary operations + +- Fixes: + - Loosen tolerance for bond order identification to account for floating point error + - Fixed uncertainty analysis to allow floats as bond orders + - Fixed some comment parsing issues in uncertainty analysis + - Added product structure atom relabeling for families added in RMG-database v2.1.5 + - Fixed issue with automatic debugging of kinetics errors due to forbidden structures + +RMG-database Version 2.1.5 +========================== +Date: October 18, 2017 + +- Additions: + - New thermo groups added for species relevant in cyclopentadiene and natural gas pyrolysis + - Added C2H4+O_Klipp2017 kinetics library + +- Fixes: + - Prevent charged carbenes from reacting in Singlet_Carbene_Intra_Disproportionation + - Updated H_Abstraction rates in ethylamine library and corresponding training reactions + + RMG-Py Version 2.1.4 ==================== Date: September 08, 2017