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TS Active Atoms Invalid Input

bugSomething isn't workingSomething isn't working

Status: Open.

#233 In faccts/opi;

· MattBurn opened on Apr 21, 2026

Add code coverage analysis

enhancementNew feature or requestNew feature or request

Status: Open.

#232 In faccts/opi;

· timmyte opened on Apr 21, 2026

R2SCAN0 defined twice

Status: Open.

Bug

#231 In faccts/opi;

· timmyte opened on Apr 20, 2026

·  

3.0.0

Simple integration of MolBar into OPI´s Structure Object

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#227 In faccts/opi;

· haneug opened on Apr 10, 2026

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