Michael Harper

I've been adding bits and pieces over the last few days ... though they don't address any of the specific issues listed here.

I've addressed the issues relating to the second point (Condition.txt file) here: https://github.com/GreenGroup/RMG-Java/commit/83fce17d21963f37c2cd9dd9b477ec4c309e11be

Addressed some of the issues relating to the third point (GUI) here: https://github.com/GreenGroup/RMG-Java/commit/75220867ea7060a1fcd4cdb551c32904b7ab410b and here: https://github.com/GreenGroup/RMG-Java/commit/9d08f51127ca0c27a685fad272494c691d6b84a6 Connie: What do you mean by the fourth point in this section ("... have...

Documentation for this known issue may be found here: https://github.com/GreenGroup/RMG-Java/commit/5f5b0fce0264cb2d7ec562ded166434412214c11 MRH has removed the "3.2" tag and replaced it with "3.4 or later".

Are the undeclared duplicate reactions from the same reaction family template, i.e. HSSH + CH3 = HSSCH3 + H and H + HSSCH3 = HSSH + CH3 are both labeled...

The commit 1f5cf62 addressed the first two paragraphs of this issue. For the last paragraph: Since the rxn family template was now labeled with the "forward" keyword, RMG would react...

Going back to @rwest question on the following: RMG.log:Created new intra_H_migration reaction: C14H23J(35105) --> C14H23J(35107) RMG.log:Created new intra_H_migration reaction: C14H23J(35107) --> C14H23J(35105) These lines appear consecutively in the RMG.log file....

1. SPC(10)=JP10(1) 7.601e+11 0.07 1.96 SPC(10)=JP10(1) 7.760e+09 0.31 1.70 2. SPC(10)=JP10(1) 2.328e+10 0.31 1.70 SPC(10)=JP10(1) 2.534e+11 0.07 1.96 3. SPC(10)=JP10(1) 1.552e+10 0.31 1.70 SPC(10)=JP10(1) 5.068e+11 0.07 1.96 The A factors...

Thanks for bringing this to our attention! For now (to get your CHEMKIN simulation running): Remove "Ne" from the SPECIES list in the chem.inp file (I am assuming there are...

The following commit resolves the specific exception being thrown in Yushi's RMG run: http://github.com/GreenGroup/RMG-Java/commit/d492cb6dd10e81f50b679a4bdf50b1254c0cce80 I am choosing not to close the issue, so that we can attempt to address the...