3:07:21drmeisterBike: The changes you made worked well - everything compiled with no errors. There are fewer GC warnings as well - it's like it was before this problem came up.
3:13:35drmeisterI'm going to need some help tomorrow figuring out how to turn this into a workflow. Some of the steps involve calculations that take a loooong time and I want every input cell evaluation to return as quickly as possible and the whole jupyter notebook to act as a dashboard that pushes the calculation forward and reports back on how far it has gotten.
3:13:43drmeisterI'm still trying to sort it out in my head.
3:14:47drmeisterI'm writing out the am1 charge calculations as a bunch of input files and a makefile.charges that you use to launch the charge calculations.
3:15:09drmeisterThen the jupyter notebook will read the output files and not proceed until they are all available.