Search results

RMSD between Structure Objects

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#220 In faccts/opi;

· haneug opened on Mar 19, 2026

Calculation of rotational constants in the Structure class

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#219 In faccts/opi;

· haneug opened on Mar 19, 2026

Serialization of ORCA input parameters

enhancementNew feature or requestNew feature or request

Status: Open.

#217 In faccts/opi;

· brockdyer03 opened on Mar 12, 2026

Error message extraction

enhancementNew feature or requestNew feature or request

Status: Open.

#215 In faccts/opi;

· kjh-giesbertz opened on Mar 9, 2026

·  

3.0.0

Refactor config_dict properties

enhancementNew feature or requestNew feature or request

side outputConcerning parsing ORCA outputConcerning parsing ORCA output

Status: Open.

Feature

#207 In faccts/opi;

· haneug opened on Feb 26, 2026

·  

3.0.0

Run tutorial notebooks as part of the tests

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#202 In faccts/opi;

· haneug opened on Feb 23, 2026

·  

3.0.0

Running Orca MM

enhancementNew feature or requestNew feature or request

Status: Open.

#185 In faccts/opi;

· MattBurn opened on Feb 2, 2026

·  

3.0.0

Citation getter function

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#177 In faccts/opi;

· haneug opened on Jan 28, 2026

String to ORCA keyword conversion

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#176 In faccts/opi;

· timmyte opened on Jan 22, 2026

·  

3.0.0

Implement common arithmetic operations for Blocks

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#165 In faccts/opi;

· timmyte opened on Dec 3, 2025

·  

3.0.0

Add github action: Upload on PyPI

Status: Open.

Task

#156 In faccts/opi;

· timmyte opened on Nov 18, 2025

·  

3.0.0

Testsuite Examples: Parallel test execution with pytest-xdist

Status: Open.

Feature

#144 In faccts/opi;

· timmyte opened on Sep 22, 2025