Issues
- 1
- 0
results.csv could be better
#42 opened by JimmyRushing - 1
- 1
Need to have an option to save more data.
#30 opened by JimmyRushing - 4
Zero TI
#26 opened by JimmyRushing - 1
- 0
Saving simulation data at the end of the process like this means you only save the data if every step of kmc_analyze goes off without a hitch.
#29 opened by JimmyRushing - 2
Add units to this output
#28 opened by JimmyRushing - 0
- 0
add tagged builds
#16 opened by jennyfothergill - 2
not sorting msd_stderrs when sorting msds
#20 opened by jennyfothergill - 18
why are we getting negative mobilities?
#19 opened by JimmyRushing - 1
make signac workflow
#17 opened by jennyfothergill - 0
Make charges work with pair calculations
#11 opened by jennyfothergill - 0
- 6
Add charge kwarg
#8 opened by JimmyRushing - 0
Add precommit
#15 opened by jennyfothergill - 0
Add readthedocs
#14 opened by jennyfothergill - 0
Add test with acceptors
#13 opened by jennyfothergill - 2
Explore functionality for handling inputs that don't need to be converted in chromophores.py
#9 opened by JimmyRushing - 1
- 0
Dig in to `get_dist_cutoff` function
#7 opened by jennyfothergill