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<code>GenericTDunTest</code> doesn't test unrestricted excited state outputs

bug

tests

Status: Open.

#1533 In cclib/cclib;

· berquist opened on Feb 16, 2025

Single <code>pip install</code> command including URL-based requirements

improvement

maintenance

Status: Open.

#1571 In cclib/cclib;

· berquist opened on Apr 13, 2025

OpenMolcas .xyz file generation from .log file not working

bug

io

Status: Open.

#1566 In cclib/cclib;

· Vishnu-SantoshK opened on Apr 9, 2025

Bump minimum required Python version from 3.7 to 3.9

maintenance

Status: Open.

#1622 In cclib/cclib;

· berquist opened on Jun 21, 2025

Add MOPAC 23 unit test data files

good-first-issue

Mopac

tests

Status: Open.

#1623 In cclib/cclib;

· berquist opened on Jun 22, 2025

Orca "grads" attribute

docs

ORCA

Status: Open.

#1426 In cclib/cclib;

· mshuaibii opened on May 13, 2024

Q-Chem: cannot parse ALMO-CIS output

QChem

regression

Status: Open.

#1630 In cclib/cclib;

· berquist opened on Jul 6, 2025

QChem: parse the ALMO-CIS section for excitation quantities

QChem

regression

Status: Draft (not ready).

cclib/cclibnumber 1631

#1631 In cclib/cclib;

· berquist opened on Jul 6, 2025

Add more type annotations

maintenance

Status: Draft (not ready).

cclib/cclibnumber 1647

#1647 In cclib/cclib;

· berquist opened on Aug 1, 2025

Fix handling of geometry indices for FIleWriter

bug

io

Status: Draft (not ready).

cclib/cclibnumber 1653

#1653 In cclib/cclib;

· berquist opened on Aug 14, 2025

Serenity parser meta issue

parsers

Serenity

Status: Open.

#1680 In cclib/cclib;

· shivupa opened on Oct 12, 2025

Fix: updated the parser to handle ORCA cube files.

methods

Status: Open (in progress).

cclib/cclibnumber 1688

#1688 In cclib/cclib;

· hanaol opened on Oct 21, 2025

Serenity: Polarizability

parsers

Serenity

Status: Open (in progress).

cclib/cclibnumber 1698

#1698 In cclib/cclib;

· lukas-paetow opened on Nov 8, 2025