Issues

• Catlearn MLNEB() initializes without assigning the correct calculator to the images of is_endpoint, fs_endpoint

  SUNCAT-Center/CatLearn#98 · Filter by author ssyrnyk opened on Aug 10, 2022
  2

• Convergence issue of ML-NEB with newer ASE

  SUNCAT-Center/CatLearn#95 · Filter by author schumannj opened on Feb 24, 2021
  3

• Force prediction in the Gaussian process model

  SUNCAT-Center/CatLearn#94 · Filter by author zyt0y opened on Oct 23, 2020

• conda-forge package

  help wanted
  SUNCAT-Center/CatLearn#79 · Filter by author jan-janssen opened on Apr 29, 2019
  8

• Evaluate diagonal only on predict std

  enhancement
  SUNCAT-Center/CatLearn#70 · Filter by author mhangaard opened on Mar 25, 2019

• the original resources of the GP features sensitivity analysis

  SUNCAT-Center/CatLearn#42 · Filter by author lixinyuu opened on Jul 5, 2018

• CI Docs

  SUNCAT-Center/CatLearn#33 · Filter by author pcjennings opened on May 20, 2018

• Parallel Testing

  SUNCAT-Center/CatLearn#28 · Filter by author pcjennings opened on May 11, 2018

• Update Docstrings

  enhancement
  SUNCAT-Center/CatLearn#20 · Filter by author pcjennings opened on May 1, 2018