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Rename MaceRunner class to AseMaceRunner

internalIssues relavant only for developersIssues relavant only for developers

Status: Open.

Task

#280 In MolarVerse/PQ;

· ape33 opened on Jun 18, 2026

Rename "mace_model_size" keyword to "mace_model"

enhance feature

Status: Open.

Task

#278 In MolarVerse/PQ;

· ape33 opened on Jun 18, 2026

Add MM Hessian workflow

new featureNew feature or requestNew feature or request

Status: Open.

#276 In MolarVerse/PQ;

· galjos opened on Jun 15, 2026

Raise Language Standard to C++23

enhance feature

internalIssues relavant only for developersIssues relavant only for developers

Status: Open.

Feature

#215 In MolarVerse/PQ;

· ape33 opened on Nov 12, 2025

cleanup virial calculation

cleanup

Status: Open.

#210 In MolarVerse/PQ;

· 97gamjak opened on Oct 9, 2025

Hybrid Jobtype Lookup for Charges Read

enhance feature

Status: Open.

Task

#200 In MolarVerse/PQ;

· ape33 opened on Sep 5, 2025

Add Possiblity to Use the Geometric Center for Inner Region Center Calc

enhance feature

Status: Open.

Feature

#196 In MolarVerse/PQ;

· ape33 opened on Sep 1, 2025

Clang formatting CI runner

workflowIssues in the workflowIssues in the workflow

Status: Open.

#179 In MolarVerse/PQ;

· 97gamjak opened on Aug 3, 2025

Add info in doc to use CLANG formatter when contributing

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#159 In MolarVerse/PQ;

· ape33 opened on Jul 15, 2025

velocity-rescaling manostat: wrong distances

bugSomething isn't workingSomething isn't working

Status: Open.

Bug

#155 In MolarVerse/PQ;

· stkroe opened on Jun 5, 2025

test reset kinetics + reset forces

testing

Status: Open.

#133 In MolarVerse/PQ;

· 97gamjak opened on Feb 3, 2025

Add selection of dispersion correction for ASE DFTBPLUS

enhance feature

Status: Open.

#125 In MolarVerse/PQ;

· 97gamjak opened on Jan 22, 2025