Issues

• Breakig changes in dependencies

  cmelab/morphct#52 · Filter by author chrisjonesBSU opened on Nov 22, 2025
  1

• New acceptor molecule workflow needs a tweak to the indexing

  cmelab/morphct#50 · Filter by author JimmyRushing opened on Jul 18, 2022
  1

• results.csv could be better

  cmelab/morphct#42 · Filter by author JimmyRushing opened on Feb 24, 2022

• Update snap_molecule_indices or use function from cmeutils?

  cmelab/morphct#33 · Filter by author JimmyRushing opened on Dec 1, 2021
  1

• Need to have an option to save more data.

  cmelab/morphct#30 · Filter by author JimmyRushing opened on Nov 4, 2021
  1

• 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.

  cmelab/morphct#29 · Filter by author JimmyRushing opened on Nov 4, 2021

• Add units to this output

  cmelab/morphct#28 · Filter by author JimmyRushing opened on Oct 5, 2021
  2

• Idea: use gsd format to log charge movement?

  cmelab/morphct#27 · Filter by author jennyfothergill opened on Sep 8, 2021

• not sorting msd_stderrs when sorting msds

  cmelab/morphct#20 · Filter by author jennyfothergill opened on Jul 21, 2021
  2

• Add precommit

  cmelab/morphct#15 · Filter by author jennyfothergill opened on Jul 2, 2021

• Add readthedocs

  cmelab/morphct#14 · Filter by author jennyfothergill opened on Jul 2, 2021

• Add test with acceptors

  cmelab/morphct#13 · Filter by author jennyfothergill opened on Jul 2, 2021

• Dig in to get_dist_cutoff function

  cmelab/morphct#7 · Filter by author jennyfothergill opened on Jun 8, 2021