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Issues list

Catlearn MLNEB() initializes without assigning the correct calculator to the images of is_endpoint, fs_endpoint
#98 opened Aug 10, 2022 by ssyrnyk updated Dec 2, 2022
2
Convergence issue of ML-NEB with newer ASE
#95 opened Feb 24, 2021 by schumannj updated Nov 14, 2022
3
Force prediction in the Gaussian process model
#94 opened Oct 23, 2020 by zyt0y updated Oct 23, 2020
conda-forge package help wanted Extra attention is needed
#79 opened Apr 29, 2019 by jan-janssen updated Apr 29, 2019
8
Evaluate diagonal only on predict std enhancement New feature or request
#70 opened Mar 25, 2019 by mhangaard updated Mar 25, 2019
the original resources of the GP features sensitivity analysis
#42 opened Jul 5, 2018 by lixinyuu updated Aug 8, 2018
CI Docs
#33 opened May 20, 2018 by pcjennings updated May 20, 2018
Parallel Testing
#28 opened May 11, 2018 by pcjennings updated May 11, 2018
Update Docstrings enhancement New feature or request
#20 opened May 1, 2018 by pcjennings updated May 1, 2018
3 tasks
ProTip! Updated in the last three days: updated:>2024-07-19.