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always instantiate classes

Status: Open.

#183 In pyscal/atomRDF;

· srmnitc opened on Apr 8, 2025

Clean up structure

code-change

discussion-needed

Status: Open.

#181 In pyscal/atomRDF;

· srmnitc opened on Mar 27, 2025

Remove network module

code-change

Status: Open.

#180 In pyscal/atomRDF;

· srmnitc opened on Mar 27, 2025

reloading pyiron jobs creates new entries in KG

bugSomething isn't workingSomething isn't working

Status: Open.

#176 In pyscal/atomRDF;

· srmnitc opened on Mar 7, 2025

Repetitions for grain boundary creation

Status: Open.

#155 In pyscal/atomRDF;

· aazocar opened on Aug 6, 2024

Add DataClass for mapping workflows

enhancementNew feature or requestNew feature or request

Status: Open.

#152 In pyscal/atomRDF;

· srmnitc opened on Jul 23, 2024

Add RDM terms

enhancementNew feature or requestNew feature or request

Status: Open.

#151 In pyscal/atomRDF;

· srmnitc opened on Jul 23, 2024

Add more parsers

enhancementNew feature or requestNew feature or request

Status: Open.

#150 In pyscal/atomRDF;

· srmnitc opened on Jul 23, 2024

Rigid calculations should not create a new output structure

bugSomething isn't workingSomething isn't working

Status: Open.

#148 In pyscal/atomRDF;

· srmnitc opened on Jul 23, 2024

Single OWL file with terms used in atomRDF

enhancementNew feature or requestNew feature or request

Status: Open.

#147 In pyscal/atomRDF;

· srmnitc opened on Jul 23, 2024

Update examples

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#146 In pyscal/atomRDF;

· srmnitc opened on Jul 23, 2024

In lammps job executable file, lammps potential file name is lmp mpi vs the actuall name is lmp

Status: Open.

#140 In pyscal/atomRDF;

· sepidbgh opened on Jul 11, 2024