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

Status: Open.

#98 In SUNCAT-Center/CatLearn;

· ssyrnyk opened on Aug 10, 2022

Convergence issue of ML-NEB with newer ASE

Status: Open.

#95 In SUNCAT-Center/CatLearn;

· schumannj opened on Feb 24, 2021

Force prediction in the Gaussian process model

Status: Open.

#94 In SUNCAT-Center/CatLearn;

· zyt0y opened on Oct 23, 2020

conda-forge package

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#79 In SUNCAT-Center/CatLearn;

· jan-janssen opened on Apr 29, 2019

Evaluate diagonal only on predict std

enhancementNew feature or requestNew feature or request

Status: Open.

#70 In SUNCAT-Center/CatLearn;

· mhangaard opened on Mar 25, 2019

the original resources of the GP features sensitivity analysis

Status: Open.

#42 In SUNCAT-Center/CatLearn;

· lixinyuu opened on Jul 5, 2018

CI Docs

Status: Open.

#33 In SUNCAT-Center/CatLearn;

· pcjennings opened on May 20, 2018

Parallel Testing

Status: Open.

#28 In SUNCAT-Center/CatLearn;

· pcjennings opened on May 11, 2018

Update Docstrings

enhancementNew feature or requestNew feature or request

Status: Open.

#20 In SUNCAT-Center/CatLearn;

· pcjennings opened on May 1, 2018