UT theoretical chemistry code forum

Hello ryeterrell, thank you for the suggestion of the EOM akmc script, however I feel that the original akmc script would work better with my previous work. I have been looking at kdbquery.pl script a bit more. It seems to be failing at line 169, which is the main loop over all directories. It never...

Hello. If anyone is able to help me out with a few questions, it would very much be appreciated. I've been attempting to run the provided example for the the adaptive Kinetic Monte Carlo script, however I've run into a few problem. I'm not certain what the problem is but currently I think it might b...