Issues

• ChemCompute jupyter notebook

  ZimmermanGroup/pyGSM#71 · Filter by author joshkamm opened on Aug 9, 2026
  

• Typo in SE_GSM prevents likely product nodes from being optimized

  ZimmermanGroup/pyGSM#68 · Filter by author b3m2a1 opened on Nov 18, 2025

• seeking help on RuntimeError

  ZimmermanGroup/pyGSM#67 · Filter by author shiyi-9328 opened on Sep 30, 2025

• Improve robustness to electronic structure errors

  ZimmermanGroup/pyGSM#66 · Filter by author joshkamm opened on Sep 25, 2024

• pkg_resources error on python 3.11

  ZimmermanGroup/pyGSM#62 · Filter by author joshkamm opened on Jun 18, 2024

• Constrained DFT

  ZimmermanGroup/pyGSM#58 · Filter by author joshkamm opened on Apr 19, 2024
  

• Stop growing string iterations when eignevector following starts

  ZimmermanGroup/pyGSM#57 · Filter by author shoubhikraj opened on Mar 16, 2024
  1

• Which paper did you refer to?

  ZimmermanGroup/pyGSM#56 · Filter by author XABxab123 opened on Jan 20, 2024
  1

• Errors when running pyGSM with Orca 5

  ZimmermanGroup/pyGSM#55 · Filter by author tanoury1 opened on Jan 11, 2024

• pyGSM question about eigenvector following

  ZimmermanGroup/pyGSM#54 · Filter by author shoubhikraj opened on Nov 3, 2023

• update examples to reflect project restructuring

  ZimmermanGroup/pyGSM#53 · Filter by author joshkamm opened on Aug 30, 2023

• SE xtb job with submission to cluster via SGE scheduler

  ZimmermanGroup/pyGSM#52 · Filter by author tanoury1 opened on Aug 18, 2023
  1

• addtr

  ZimmermanGroup/pyGSM#48 · Filter by author maartensandbox opened on May 11, 2023
  2

• What's the difference between covalent_radius and bond_radius?

  ZimmermanGroup/pyGSM#44 · Filter by author LiuCMU opened on Mar 13, 2023

• pyGSM requires xib, although it is installed and is not requested

  ZimmermanGroup/pyGSM#43 · Filter by author mit-eremin opened on Jan 16, 2023
  1

• Seam path.. using PyGSM

  ZimmermanGroup/pyGSM#42 · Filter by author cguemade31 opened on Mar 2, 2022

• Choose step size with DE-GSM

  ZimmermanGroup/pyGSM#39 · Filter by author RaphaelRobidas opened on Jan 24, 2022

• Instability with large max_opt_steps

  ZimmermanGroup/pyGSM#37 · Filter by author RaphaelRobidas opened on Dec 13, 2021
  1

• GSM Command Import Errors

  ZimmermanGroup/pyGSM#36 · Filter by author dustinrb opened on Nov 15, 2021
  1

• Frozen_atom is buggy in current version

  ZimmermanGroup/pyGSM#33 · Filter by author ms860309 opened on Jun 4, 2021

• tests and CI

  ZimmermanGroup/pyGSM#31 · Filter by author stenczelt opened on May 29, 2021
  2

• coordinate systems and relation to geomeTRIC

  ZimmermanGroup/pyGSM#30 · Filter by author stenczelt opened on May 29, 2021
  6

• Support different Hamiltonian for xTB level of theory

  ZimmermanGroup/pyGSM#28 · Filter by author awvwgk opened on May 18, 2021
  2

• Package for conda and/or pip

  ZimmermanGroup/pyGSM#27 · Filter by author awvwgk opened on May 18, 2021
  2

• How to run pyGSM

  ZimmermanGroup/pyGSM#22 · Filter by author small-bamboo opened on Apr 30, 2021
  4