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A Django-powered website for Reaction Mechanism Generator (RMG)

Results 40 RMG-website issues
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Seems large molecules (e.g., CCCCCCCCCCCC[C]1C=CC=CC1CCCCCCCCCCC) still cannot be rendered in molecule search. ![image](https://cloud.githubusercontent.com/assets/2739496/19838908/1c811e2c-9eaf-11e6-8683-bba35cbb2a64.png)

Error

Trying leads to this: ``` python Traceback: File "/usr/local/lib/python2.7/dist-packages/django/core/handlers/base.py" in get_response 111. response = callback(request, *callback_args, **callback_kwargs) File "/var/www/RMG-website/rmgweb/rmg/views.py" in compareModels 108. diff.createOutput() File "/var/www/RMG-website/rmgweb/rmg/models.py" in createOutput 212. saveCompareHTML(self.path, self.chemkin1,...

Error Message

It was suggested today that the pre-filled template form that is created when you make a training reaction should be different: - include uncertainties (or placeholders for them) on at...

Feature
Error

In many cases, the Arrhenius plots have limits that entirely negate their purpose. For instance, reactions with relevance only above a certain T do not need to be plotted down...

Feature
Undesired Behavior

The displayed equation for Fcent should not have the extra exp(-T2/T) term

Error

Stephen Klippenstein suggests an ability to search (thermo and kinetics) by chemical formula (stoichiometry) instead of SMILES. A lot of people would find this helpful.

Feature

Follows up on: https://github.com/ReactionMechanismGenerator/RMG-website/pull/88 - Depositories: being able to specify training reactions to be on vs. off, or turning on all of them (including NIST I presume?) - Families: setting...

Feature

One of the main functions of the plot kinetics tool is to fit reverse rates for reactions. It does this using thermo data provided in the Chemkin input file. However,...

Undesired Behavior

# Motivation The RMG website code is fairly large, and changes upstream in RMG-Py and RMG-database have the ability to affect functionality of the website. Some unit tests are already...

Major Update

In the case of the H + SO -> HSO reaction (data is from [Sulfur/GlaborgMarchall/68](https://rmg.mit.edu/database/kinetics/libraries/Sulfur/GlarborgMarshall/68/)), the unit appears as m9/mol3/s on the RMG website when doing the kinetics search. However,...