Issues

• MECP/MECI optimization: penalty-function paired-state scanner (no derivative couplings)

  adc-connect/adcc#229 · Filter by author maxscheurer opened on Jun 17, 2026
  1

• Gradients Mega-Issue

  adc-connect/adcc#218 · Filter by author maxscheurer opened on Jun 14, 2026
  

• Refactor documentation build

  adc-connect/adcc#179 · Filter by author maxscheurer opened on Aug 19, 2024

• adcc.get_n_threads() doesn't seem to work

  adc-connect/adcc#173 · Filter by author EvGeGr opened on Mar 18, 2024
  2

• Symmetry of states

  adc-connect/adcc#171 · Filter by author Emilioerc opened on Feb 23, 2024

• RAM usage

  usage
  adc-connect/adcc#164 · Filter by author Sharlekin opened on Jan 20, 2023
  2

• Run example scripts on CI

  CItesting
  adc-connect/adcc#142 · Filter by author maxscheurer opened on Jan 13, 2022
  4

• Eigensolvers for non-symmetric matrices

  feature
  adc-connect/adcc#135 · Filter by author maxscheurer opened on Dec 16, 2021
  8

• More user-friendly excited state properties of degenerate states

  feature
  adc-connect/adcc#127 · Filter by author golnik opened on Apr 15, 2021
  5

• Issue with setup.py install if adcc is a dependency

  adc-connect/adcc#121 · Filter by author maxscheurer opened on Dec 29, 2020
  1

• Automatic documentation deployment

  CIdocumentation
  adc-connect/adcc#112 · Filter by author mfherbst opened on Dec 10, 2020
  1

  

• Jacobi-Anderson solver

  feature
  adc-connect/adcc#111 · Filter by author mfherbst opened on Dec 10, 2020

• Basis set interpolation of ADC amplitude vectors

  adc-connect/adcc#110 · Filter by author mfherbst opened on Dec 10, 2020

• Checkpointing for ADC calculations

  feature
  adc-connect/adcc#109 · Filter by author mfherbst opened on Dec 10, 2020

• Better automatic selection of frozen-core and frozen-virtual

  feature
  adc-connect/adcc#108 · Filter by author mfherbst opened on Dec 10, 2020

• Avoid multiple computation of ERI blocks for CVS calculations

  performance
  adc-connect/adcc#107 · Filter by author maxscheurer opened on Dec 10, 2020

• CVS State-to-state transition densities

  feature
  adc-connect/adcc#101 · Filter by author maxscheurer opened on Nov 27, 2020

• Feature suggestion: Support for adding custom subspaces

  feature
  adc-connect/adcc#100 · Filter by author obackhouse opened on Nov 25, 2020
  6

• More verbose output if desired

  feature
  adc-connect/adcc#88 · Filter by author maxscheurer opened on Aug 21, 2020
  5

• ESP charges

  featureproperties
  adc-connect/adcc#82 · Filter by author Edumars opened on Jul 12, 2020
  1

• Visualisation ideas

  properties
  adc-connect/adcc#63 · Filter by author mfherbst opened on May 20, 2020

• CIS functionality tests

  featurepropertiestesting
  adc-connect/adcc#59 · Filter by author maxscheurer opened on May 5, 2020
  

• Serialisation of ExcitedStates to disk / pandas

  feature
  adc-connect/adcc#55 · Filter by author mfherbst opened on Apr 15, 2020

• Improve documentation on quatities form ExcitedStates

  documentation
  adc-connect/adcc#53 · Filter by author mfherbst opened on Apr 9, 2020

• Simplify obtaining NTOs and related quantities

  feature
  adc-connect/adcc#52 · Filter by author mfherbst opened on Apr 9, 2020