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Segmentation fault during LAMMPS run

Status: Open.

#131 In uf3/uf3;

· michaelmacisaac opened on May 16, 2025

SciPy version 1.14.1 or less must be used (hopefully temporarily) due to ndsplines

Status: Open.

#129 In uf3/uf3;

· sunghjung3 opened on Feb 3, 2025

UF3-LAMMPS: currently not possible to have NULL element mapping

Status: Open.

#124 In uf3/uf3;

· Fraser-Birks opened on Jul 8, 2024

Partial 3-body terms

Status: Open.

#119 In uf3/uf3;

· tawe141 opened on Jun 28, 2024

Write hyperparameters to json file

enhancementNew feature or requestNew feature or request

Status: Open.

#104 In uf3/uf3;

· samdong2101 opened on Nov 28, 2023

UFcalculator energies and energy calculated directly from features don't match

Status: Open.

#69 In uf3/uf3;

· monk-04 opened on Sep 13, 2023

Small Bugs in export_tabulated_potential

Status: Open.

#53 In uf3/uf3;

· pmrv opened on Jul 17, 2023

Update Python versions in testing workflow

Status: Open.

#50 In uf3/uf3;

· sxie22 opened on Jul 5, 2023

default regularization parameters in the documentation

Status: Open.

#43 In uf3/uf3;

· paprakash opened on Feb 6, 2023

sample_weights has nonlinear effect on the fit

Status: Open.

#41 In uf3/uf3;

· sxie22 opened on Jan 13, 2023

UFCalculator error when model has resolution 0 for an interaction

Status: Open.

#26 In uf3/uf3;

· henk789 opened on Sep 8, 2022

Feature request: option for filtering configurations with large energies/forces

enhancementNew feature or requestNew feature or request

Status: Open.

#6 In uf3/uf3;

· sxie22 opened on Nov 29, 2021