Search results

documentation versioning + workflow to update docs

Status: Open.

#437 In FAIRmat-NFDI/nomad-simulations;

· JFRudzinski opened on Jul 29, 2026

·  

1.0.0

CI/CD for automatic semantic versioning

Status: Open.

#436 In FAIRmat-NFDI/nomad-simulations;

· JFRudzinski opened on Jul 29, 2026

·  

1.0.0

simplify & clarify spin-related quantities

Status: Open.

#434 In FAIRmat-NFDI/nomad-simulations;

· EBB2675 opened on Jul 27, 2026

·  

1.0.0

does the default smoothing factor cause TabulatedPotential force/energy derivation to collapse to a global cubic?

Status: Open.

#432 In FAIRmat-NFDI/nomad-simulations;

· EBB2675 opened on Jul 27, 2026

ImproperDihedralPotential subclassing DihedralPotential causes a spurious warning and a transient wrong type

Status: Open.

#431 In FAIRmat-NFDI/nomad-simulations;

· EBB2675 opened on Jul 27, 2026

Review and address ruff ignores

Status: Open.

#430 In FAIRmat-NFDI/nomad-simulations;

· JFRudzinski opened on Jul 25, 2026

·  

2.0.0

wyckoff_sites emits letter before multiplicity (a4 instead of 4a)

Status: Open.

#429 In FAIRmat-NFDI/nomad-simulations;

· EBB2675 opened on Jul 24, 2026

·  

1.0.0

site_multiplicities stores the orbit size of the analyzed cell, not the intrinsic Wyckoff multiplicity

Status: Open.

#428 In FAIRmat-NFDI/nomad-simulations;

· EBB2675 opened on Jul 24, 2026

·  

1.0.0

SCF convergence quantities have inconsistent definitions and physically unsafe normalization fallbacks

bugSomething isn't workingSomething isn't working

Outputs

Status: Open.

#423 In FAIRmat-NFDI/nomad-simulations;

· EBB2675 opened on Jul 23, 2026

·  

1.0.0

should HubbardInteractions inherit from ElectronicState?

ModelMethod

ModelSystem

questionFurther information is requestedFurther information is requested

Status: Open.

#421 In FAIRmat-NFDI/nomad-simulations;

· EBB2675 opened on Jul 23, 2026

·  

1.0.0

Outputs inherits from SimulationTime

improvement/fixImprovement or fix of a previous featureImprovement or fix of a previous feature

Outputs

Status: Open.

#420 In FAIRmat-NFDI/nomad-simulations;

· EBB2675 opened on Jul 17, 2026

·  

1.0.0

are Fermi level references in electronic properties dead?

questionFurther information is requestedFurther information is requested

Status: Open.

#418 In FAIRmat-NFDI/nomad-simulations;

· EBB2675 opened on Jul 16, 2026

·  

1.0.0