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UF3-LAMMPS: currently not possible to have NULL element mapping
#124
opened Jul 8, 2024 by
Fraser-Birks
Write hyperparameters to json file
enhancement
New feature or request
#104
opened Nov 28, 2023 by
samdong2101
UFcalculator energies and energy calculated directly from features don't match
#69
opened Sep 13, 2023 by
monk-04
Feature request: option for filtering configurations with large energies/forces
enhancement
New feature or request
#6
opened Nov 29, 2021 by
sxie22
Command line interface and scripts
enhancement
New feature or request
help wanted
Extra attention is needed
#4
opened Oct 19, 2021 by
sxie22
Two-and-three body support for UFCalculator and UFLammps
enhancement
New feature or request
#2
opened Oct 6, 2021 by
sxie22
ProTip!
Follow long discussions with comments:>50.