Niemeyer-Research-Group / pyMARS

Python-based (chemical kinetic) Model Automatic Reduction Software
https://niemeyer-research-group.github.io/pyMARS/
MIT License
61 stars 46 forks source link

Vectorize drg rates #49

Closed skyreflectedinmirrors closed 5 years ago

skyreflectedinmirrors commented 5 years ago

Should double check this for correctness, but it basically fixes #48

Bonus points if you optimize out the sp_b loop w/ np.eigsum

xMestas commented 5 years ago

Looks like this PR made the test related to DRG fail. Try running pytest or check Travis to see the results.

kyleniemeyer commented 5 years ago

Yeah, it looks like this version changes the species that are identified in one of the tests.

xMestas commented 5 years ago

Yea. Check out #50, a simple fix that makes it run much faster.

kyleniemeyer commented 5 years ago

I'm going to close this, since the idea was brought into the changes I made in #50 and which will be continued in the refactor branch.