Issues

• Please make a release that will support numpy-2.x

  openkim/kliff#227 · Filter by author yurivict opened on Oct 17, 2025
  1

• Move from emcee to more modern framework

  enhancementfeature
  openkim/kliff#220 · Filter by author ipcamit opened on May 21, 2025
  2

• V 1.1 features

  feature
  openkim/kliff#213 · Filter by author ipcamit opened on Apr 15, 2025
  3

• Doc building error

  documentation
  openkim/kliff#212 · Filter by author mjwen opened on Apr 11, 2025
  2

• 17 tests fail with unpickling errors

  bug
  openkim/kliff#210 · Filter by author yurivict opened on Apr 11, 2025
  6

• Fitting certain parameters in Tersoff potential returns RuntimeError: the model does not provide an Extension routine

  bug
  openkim/kliff#203 · Filter by author dengtq opened on Mar 5, 2025
  13

• Inquiry Regarding Random Perturbations in Diamond Silicon Experiments

  openkim/kliff#181 · Filter by author LiMahappy opened on Jun 6, 2024

• The Neural Network Potential in Parallel

  openkim/kliff#179 · Filter by author LiMahappy opened on May 24, 2024
  2

• Extracting and Converting from OUTCAR File to XYZ File

  enhancement
  openkim/kliff#177 · Filter by author LiMahappy opened on May 8, 2024
  6

• libdescriptor not available for macOS

  openkim/kliff#168 · Filter by author mjwen opened on Feb 23, 2024
  1

• Refactor UQ tests

  enhancement
  openkim/kliff#126 · Filter by author mjwen opened on Jul 30, 2023
  6

• Trained LJ potential cannot reproduce DFT pressure

  openkim/kliff#113 · Filter by author lnnbig opened on Mar 24, 2023
  1

• How to use multiple calculators in the loss function?

  openkim/kliff#93 · Filter by author yonatank93 opened on Dec 23, 2022
  3

• Model training with cross validation

  openkim/kliff#78 · Filter by author michaelmacisaac opened on Oct 6, 2022
  1

• Feature request: Parallelization of Model Creation

  openkim/kliff#76 · Filter by author adityakavalur opened on Sep 27, 2022
  4

• Issue with .create() method when recreating SiC NN example

  openkim/kliff#71 · Filter by author michaelmacisaac opened on Sep 7, 2022
  9

• How to write the SiC trained model to a KIM model in your example?

  openkim/kliff#45 · Filter by author ChesterCs-thu opened on Mar 31, 2022
  8

• Please add 'test_requires' to setup.py

  openkim/kliff#11 · Filter by author yurivict opened on Aug 4, 2021
  4