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ard.py Outdated Parameter Name

Status: Open.

#279 In FitSNAP/FitSNAP;

· imanderson588 opened on Sep 24, 2025

Collected FitSNAP small fixes and updates, Aug. 2024

Status: Open.

#258 In FitSNAP/FitSNAP;

· megmcca opened on Aug 7, 2024

Check FitSNAP calculation precision for Numpy 2.0 compatibility (future-proofing)

Status: Open.

#255 In FitSNAP/FitSNAP;

· megmcca opened on Jul 22, 2024

MPI Communicators not released when FitSnap is destroyed

Status: Open.

#249 In FitSNAP/FitSNAP;

· perez-danny opened on Jan 22, 2024

Upgrade to Python 3.11

Status: Open.

#229 In FitSNAP/FitSNAP;

· rohskopf opened on Jul 31, 2023

VASP scraper

bugSomething isn't workingSomething isn't working

Status: Open.

#226 In FitSNAP/FitSNAP;

· rohskopf opened on Jul 18, 2023

Preconditioners for scalapack

enhancementNew feature or requestNew feature or request

Status: Open.

#211 In FitSNAP/FitSNAP;

· rohskopf opened on Apr 25, 2023

No module named 'mliap_model_python_couple_kokkos'

bugSomething isn't workingSomething isn't working

Status: Open.

#188 In FitSNAP/FitSNAP;

· hoba87 opened on Feb 27, 2023

ACE PyTorch with LAMMPS

lammps-enhancement

Status: Open.

#157 In FitSNAP/FitSNAP;

· Basti1211 opened on Nov 19, 2022

TensorflowSVD Solver produces matmul errors.

Status: Open.

#133 In FitSNAP/FitSNAP;

· dft-dutoit opened on Sep 15, 2022

Parameter Optimization

enhancementNew feature or requestNew feature or request

Status: Open.

#35 In FitSNAP/FitSNAP;

· mitwood opened on Jun 24, 2020

Mixed Descriptor Sets In Fitted Potential

enhancementNew feature or requestNew feature or request

Status: Open.

#34 In FitSNAP/FitSNAP;

· mitwood opened on Jun 24, 2020