Issues

• energies reported under "geometries" hard to interpret/inconsistent

  nutjunkie/IQmol#72 · Filter by author KatharinaDD opened on Sep 11, 2026

• Basic TDDFT job not allowed

  nutjunkie/IQmol#71 · Filter by author felixplasser opened on Sep 8, 2026
  1

• Open/Save not working on macOS Tahoe 26.1

  nutjunkie/IQmol#70 · Filter by author cool19925719 opened on Nov 20, 2025
  2

• Open/Save not working on macOS Sequoia

  nutjunkie/IQmol#69 · Filter by author rgora opened on Apr 23, 2025
  2

• Saving Picture in MacOS Ventura is broken

  nutjunkie/IQmol#67 · Filter by author peverati opened on Jun 2, 2023

• server configuration import not working

  nutjunkie/IQmol#66 · Filter by author sakul-45 opened on May 30, 2023

• Can't submit jobs to Q-Chem's server – SSL handshake failed

  nutjunkie/IQmol#65 · Filter by author peverati opened on Oct 27, 2022
  2

• Ubuntu 22 Support?

  nutjunkie/IQmol#63 · Filter by author andrewboldi opened on Jul 12, 2022
  8

• Reindexing Atoms Unclear

  nutjunkie/IQmol#62 · Filter by author morrismuehl opened on Jul 1, 2022

• Job list causes delayed startup

  nutjunkie/IQmol#61 · Filter by author rpsteele opened on Apr 22, 2022

• Vibrational frequencies not viewable from fchk file

  nutjunkie/IQmol#60 · Filter by author rpsteele opened on Apr 6, 2022
  1

• Lineshape function in vibrational viewer does not adjust to range

  nutjunkie/IQmol#59 · Filter by author rpsteele opened on Apr 4, 2022

• Default vibrational spectrum range omits high-frequency transitions

  nutjunkie/IQmol#58 · Filter by author rpsteele opened on Apr 4, 2022

• Atom highlighting flaky

  nutjunkie/IQmol#57 · Filter by author rpsteele opened on Apr 3, 2022

• Geometry not propagating after job returns

  nutjunkie/IQmol#56 · Filter by author rpsteele opened on Apr 3, 2022
  1

• Using Openbabel3

  nutjunkie/IQmol#54 · Filter by author sagitter opened on Sep 26, 2021
  5

• CMake files don't work

  nutjunkie/IQmol#51 · Filter by author mindeye33 opened on Jul 28, 2021

• Status Update

  nutjunkie/IQmol#49 · Filter by author chiensh opened on Jun 15, 2021

• setting local server windows 10

  nutjunkie/IQmol#48 · Filter by author defanet opened on Mar 17, 2021

• Missing names in some xyz files

  nutjunkie/IQmol#47 · Filter by author artem-glubshev opened on Feb 4, 2021

• Cannot setup geometries for Freezing String Method jobs

  nutjunkie/IQmol#39 · Filter by author slipchenko opened on Apr 29, 2020

• Job Monitor won't clear lists, and returns tons of popups

  nutjunkie/IQmol#38 · Filter by author dashariaty opened on Apr 20, 2020

• executable does not start

  nutjunkie/IQmol#37 · Filter by author KatharinaDD opened on Apr 11, 2020

• How to generate the symmetry information directly?

  nutjunkie/IQmol#36 · Filter by author sym823808458 opened on Mar 7, 2020

• copy and paste molecule fragment

  nutjunkie/IQmol#34 · Filter by author timpaula opened on Jun 13, 2019
  1