Issues

• Improve type system for physical properties

  jszopi/repESP#49 · Filter by author jszopi opened on Jun 14, 2019

• Offer runtime type checking

  jszopi/repESP#48 · Filter by author jszopi opened on Jun 14, 2019

• Format repo with black and set up pre-commit

  jszopi/repESP#45 · Filter by author jszopi opened on Jun 2, 2019

• CI: Add static analysis / linting to tox

  jszopi/repESP#36 · Filter by author jszopi opened on Mar 22, 2019
  1

• resp_wrapper: Move to another repo

  jszopi/repESP#34 · Filter by author jszopi opened on Mar 22, 2019 · v0.3

• docs: Host docs for all stable library versions

  jszopi/repESP#30 · Filter by author jszopi opened on Mar 3, 2019 · v0.3

• Determine which Gaussian version this library is compatible with

  jszopi/repESP#29 · Filter by author jszopi opened on Feb 23, 2019

• gaussian_format: Verify if get_charges_form_log works without IOp(6/50=1)

  help wanted
  jszopi/repESP#28 · Filter by author jszopi opened on Feb 23, 2019

• docs: Remove repetition between parameters and attributes in dataclass docstrings

  jszopi/repESP#27 · Filter by author jszopi opened on Oct 14, 2018

• docs: Use sphinx-autodoc-typehints instead of repeating types in docstrings

  jszopi/repESP#26 · Filter by author jszopi opened on Oct 14, 2018
  3

• Implement scripts using library v0.2

  jszopi/repESP#24 · Filter by author jszopi opened on Oct 8, 2018

• Features missing from version 0.2.0

  jszopi/repESP#21 · Filter by author jszopi opened on Oct 8, 2018

• Add another measure of relative fit errors alongside RRMS

  enhancement
  jszopi/repESP#9 · Filter by author jszopi opened on Sep 1, 2016

• Save location of fitting points to file in esp_fit.py script

  jszopi/repESP#7 · Filter by author jszopi opened on Sep 1, 2016

• Add verbosity option to scripts to show input and ouput charges

  enhancement
  jszopi/repESP#1 · Filter by author jszopi opened on Aug 30, 2016