Issues

• Custom basis not found for inputs with DOS file format

  efposadac/openLOWDIN#180 · Filter by author fsmoncadaa opened on Oct 6, 2026
  

• The electrons should go first in DFT calculations

  efposadac/openLOWDIN#179 · Filter by author fsmoncadaa opened on Aug 5, 2026
  

• error in He3-C60potential-NOCI test

  efposadac/openLOWDIN#176 · Filter by author fsmoncadaa opened on Jul 6, 2026
  2

  

• H2O.APMO.iter1.py

  bug
  efposadac/openLOWDIN#174 · Filter by author jacharrym opened on Jun 24, 2026
  

• memory leaks integraltransformation (and maybe in more parts...)

  bug
  efposadac/openLOWDIN#165 · Filter by author jacharrym opened on Feb 23, 2026
  1

  

• NOCI CalcProp

  efposadac/openLOWDIN#162 · Filter by author fsmoncadaa opened on Feb 3, 2026
  

• Rectangular cubes

  efposadac/openLOWDIN#152 · Filter by author fsmoncadaa opened on May 30, 2025
  

• orbital occupation

  fix the mess
  efposadac/openLOWDIN#151 · Filter by author jacharrym opened on May 25, 2025
  4

  

• Add diagonalization options to NOCI

  efposadac/openLOWDIN#145 · Filter by author fsmoncadaa opened on May 12, 2025
  

• Unify external potential contributions

  enhancement
  efposadac/openLOWDIN#144 · Filter by author fsmoncadaa opened on May 12, 2025
  

• Integrate lowdin with BSE app for getting basis set

  enhancement
  efposadac/openLOWDIN#141 · Filter by author jacharrym opened on Apr 30, 2025

• clean orbital localizer module

  efposadac/openLOWDIN#135 · Filter by author fsmoncadaa opened on Apr 1, 2025
  

• Add jadamilu repository

  enhancement
  efposadac/openLOWDIN#132 · Filter by author jacharrym opened on Mar 29, 2025
  

• Recompile libint2 with higher angular momentum

  efposadac/openLOWDIN#127 · Filter by author fsmoncadaa opened on Mar 24, 2025
  

• spin contamination and spin populations

  enhancement
  efposadac/openLOWDIN#125 · Filter by author fsmoncadaa opened on Mar 18, 2025
  2

  

• New guess option for nuclei and positrons

  efposadac/openLOWDIN#119 · Filter by author fsmoncadaa opened on Mar 12, 2025
  

• Cache workflows and save test outputs

  efposadac/openLOWDIN#118 · Filter by author fsmoncadaa opened on Mar 12, 2025
  1

  

• Effect of two-particles integrals screening tolerance factor

  bug
  efposadac/openLOWDIN#112 · Filter by author jacharrym opened on Dec 28, 2024
  1

  

• Bring back Auxiliary DFT

  efposadac/openLOWDIN#111 · Filter by author fsmoncadaa opened on Dec 17, 2024
  

• Simplify the calculations with an external polarization potential

  fix the mess
  efposadac/openLOWDIN#108 · Filter by author jacharrym opened on Dec 4, 2024
  2

  

• Update NOCI manual

  help wanted
  efposadac/openLOWDIN#101 · Filter by author fsmoncadaa opened on Nov 20, 2024
  

• Add tests for OMP parallelization

  enhancement
  efposadac/openLOWDIN#99 · Filter by author fsmoncadaa opened on Nov 20, 2024
  

• Improve omp integral transformation C

  enhancement
  efposadac/openLOWDIN#94 · Filter by author jacharrym opened on Oct 3, 2024
  

• Fix the single vs double integer precision mess in the code

  fix the messhelp wanted
  efposadac/openLOWDIN#93 · Filter by author jacharrym opened on Sep 17, 2024
  

• Improve printing of PT3 terms

  enhancementfix the messhelp wanted
  efposadac/openLOWDIN#88 · Filter by author fsmoncadaa opened on Aug 28, 2024