ReactionMechanismGenerator RMG-Java issues

ReactionMechanismGenerator / RMG-Java

The Java version of RMG: Reaction Mechanism Generator

http://rmg.sourceforge.net/

MIT License

29 stars 36 forks source link

issues

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RMGVE (viewer/editor GUI) should be available for download

#312 rwest opened 8 years ago
1
Seed mechanism, generateReactions on vs off

#311 connie opened 8 years ago
0
Manual ROOH decomposition - how to add it?

#310 DetlevCM opened 9 years ago
5
RMG Database Editor not present

#309 DetlevCM closed 9 years ago
2
MaxOxygenNumberPerSpecies not absolute

#308 DetlevCM opened 9 years ago
0
Solvation - Viscosity Parameter has no effect in multicomponent mix

#307 DetlevCM opened 9 years ago
0
Hydroperoxide decomposition

#306 Alborzi opened 9 years ago
0
RMG Database incomplete for Liquid Phase Kinetics

#305 DetlevCM opened 9 years ago
14
Issue on forbidden structure (group rather than species)

#304 chatelak closed 9 years ago
2
Populate Reactions finds different rate from RMG job when there are multiple rate rules

#303 connie opened 10 years ago
1
QM thermo looks for MOPAC2009.exe file, but should now be MOPAC2012.exe

#302 rwest opened 10 years ago
0
BensonOnly vs Hybrid

#301 lcai closed 10 years ago
0
Program hangs when running the make test example (waiting for GATPFit)

#300 jjoly opened 10 years ago
10
RMG finds lots of unrealistic reactions in polyaromatics

#299 agvandeputte closed 10 years ago
1
Add info on default gfortran-4.6 issue of Ubuntu-12.04 in documentation

#298 nickvandewiele closed 10 years ago
1
Liquid phase with RMG4 and RMG3

#297 chatelak opened 10 years ago
4
Fame error: one or more rate coefficients not properly estimated!

#296 faribas closed 10 years ago
3
Update tree.txt

#295 chatelak closed 10 years ago
6
Resonance in cyclic compounds

#294 agvandeputte opened 10 years ago
0
RMG errors with new families

#293 chatelak closed 10 years ago
1
updated alpha-hydroxyethyl surface rate rules

#292 enochd closed 10 years ago
0
No consistency check on thermo group adjlists

#291 nyee opened 10 years ago
0
Populate reactions module does not read in reaction library rates

#290 shamelmerchant opened 10 years ago
0
Fame uses fixed grain size(?)

#289 shamelmerchant opened 10 years ago
2
Seed mechanism

#288 ayramire opened 11 years ago
3
Error in thermo estimation for phenoxy radical

#287 ssommari opened 11 years ago
6
RMG can't handle overall reactions with four products

#286 jwallen opened 11 years ago
1
"Other" group additivity thermo corrections not applied

#285 jwallen opened 11 years ago
0
Case insensitive atom types

#284 jwallen closed 11 years ago
0
Retouch

#283 keceli closed 11 years ago
1
utilities missing environment defaults

#282 nyee closed 11 years ago
2
Ring Correction/Thermo Library Conflict

#281 nyee closed 11 years ago
0
QMTP fails on every species and QMTP Library prints all zero values

#280 shamelmerchant opened 11 years ago
7
Finer control over various paths via environment variables.

#279 rwest closed 11 years ago
2
RMG style

#278 keceli opened 11 years ago
1
QMTP .hold files persist when job dies

#277 rwest closed 11 years ago
0
Substitution_O giving ERROR: Couldn't find the rate constant for reaction...

#276 rwest opened 11 years ago
8
Reproducibility of RMG

#275 keceli opened 11 years ago
7
avoidfork not working on Windows

#274 jwallen closed 11 years ago
6
Polycyclics thoughts: on-the-fly vs group additivity

#273 nickvandewiele opened 11 years ago
9
Merging sulfur database into master

#272 calebclass closed 9 years ago
3
Pruning to maximum edge size doesn't necessarily meet target.

#271 rwest opened 12 years ago
3
C-C Beta scissions with biradicals lead to new biradicals instead of alkenes

#270 nickvandewiele opened 12 years ago
8
Restart fails with error message

#269 ramanan opened 12 years ago
4
Diels-Alder template can't match formation of dicyclopentadiene

#268 stroiano opened 12 years ago
0
Feature request: Pressure dependence for small molecules only

#267 jwallen opened 12 years ago
0
Liquid Phase Model has predefined Units (3.3 Sourceforge Code) -> Correct

#266 DetlevCM closed 12 years ago
0
GUI out of date?

#265 rwest opened 12 years ago
2
Collision efficiencies from seed mechanisms refer to species not declared in chemkin file.

#264 faribas closed 12 years ago
2
Logging problem with multiple threads on avoidfork branch.

#263 faribas opened 12 years ago
0