{"shas":[["b06eeeaeef01ea859acf988908e727c841840de9","9bd490a4f453b93cf9fd9834a38e01d2badc8a91@mit.edu","Fix bug in chemkin output of duplicate reactions.","Richard West"],["f4a4bf2ee9aafa520deecdfb6efcb88ff2f66a92","9bd490a4f453b93cf9fd9834a38e01d2badc8a91@mit.edu","Move KineticsDatabase.__reactionMatchesReactants to Reaction.matchesMolecules\n\nThis is essentially isomorphism checking, so now lives next to the real\nisomorphism checking in the Reaction class. This also allows it to be\ncythoned. I was hoping for a speed bost as a result, but it seems to be\npretty negligible - perhaps there's not enough static typing.\n\nCertainly some pretty dumb hashing could probably speed us up a lot.\n(eg. compare the molecular weight of both reactions?)\nOr don't iterate through the whole library, but have them indexed by\none of the reactants (do we have Species objects at this point?).","Richard West"],["a63cc37547fb1556b0f48ae27e0cf236500ee8a6","9bd490a4f453b93cf9fd9834a38e01d2badc8a91@mit.edu","New input file option: saveConcentrationProfiles\n\nThe xlwt package is taking a lot of time to save my concentration profiles\nfor the methylformate job, so it's nice to be able to turn it off\n(unless we can find a faster method? CSV? or only save it occasionally?)\nAnyway, there's now the option to turn it off.","Richard West"],["06a313b7bcbc823441a9ad5f0bedd13c46989e8d","9bd490a4f453b93cf9fd9834a38e01d2badc8a91@mit.edu","Pass Seed/Library reaction comments through to kinetics (and hence chemkin files).\n\nThese start off as descriptions on the reaction, but the output methods\nlook for comments on the kinetics. I remove blank lines in the process,\nas some of the seed mechanisms have many and they're ugly.","Richard West"],["73e3b94d8046cea82c595b8502ce6ff9fef5127d","9bd490a4f453b93cf9fd9834a38e01d2badc8a91@mit.edu","fixup! New input file option: saveConcentrationProfiles","Richard West"],["a4ea0419f01fac504a033a1bfc2a8cdaf30977bf","9bd490a4f453b93cf9fd9834a38e01d2badc8a91@mit.edu","fixup! New input file option: saveConcentrationProfiles","Richard West"],["303085f1dc3a06fe3ad87c4d33e178f00e98fa46","9bd490a4f453b93cf9fd9834a38e01d2badc8a91@mit.edu","Profiling mode automatically runs dot to draw a graph of the results.\n\nIf you don't have dot installed, it should give you a polite warning.\nAlso tweaked the gprof2dot settings a little.","Richard West"],["8f954ea90edb05584858243967ac50da7bf153c3","9bd490a4f453b93cf9fd9834a38e01d2badc8a91@mit.edu","Add multiple reaction systems to methylformate example input file.","Richard West"]],"ref":"refs/heads/master","size":8,"head":"8f954ea90edb05584858243967ac50da7bf153c3","push_id":37725581}