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23 Open 19 Closed
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Issues list

0.4.3: Tests fail to run: ImportError: cannot import name 'bs' from 'kliff.descriptors.bispectrum'
#197 opened Nov 17, 2024 by yurivict
Examples in KLIFF documentation seem to be broken
#187 opened Jul 29, 2024 by yonatank93
Inquiry Regarding Random Perturbations in Diamond Silicon Experiments
#181 opened Jun 6, 2024 by LiMahappy
The Neural Network Potential in Parallel
#179 opened May 24, 2024 by LiMahappy
2
Extracting and Converting from OUTCAR File to XYZ File
#177 opened May 8, 2024 by LiMahappy
6
Alternative Error Functions for Loss Calculation
#176 opened Apr 5, 2024 by kbushick
1
libdescriptor not available for macOS
#168 opened Feb 23, 2024 by mjwen
1
Refactor UQ tests
#126 opened Jul 30, 2023 by mjwen
6
VisibleDeprecationWarning in weight class
#116 opened Apr 2, 2023 by ipcamit
4
outdated ptemcee fail tests
#114 opened Mar 28, 2023 by mjwen
1
Trained LJ potential cannot reproduce DFT pressure
#113 opened Mar 24, 2023 by lnnbig
1
Kim model driver for analytical potential
#102 opened Jan 27, 2023 by Rana-Phy
3
How to use multiple calculators in the loss function?
#93 opened Dec 23, 2022 by yonatank93
3
Remove pybind11 from from install_requires
#84 opened Oct 10, 2022 by mjwen
Tests fail: cannot import name 'neighlist' from partially initialized module 'kliff.neighbor'
#81 opened Oct 7, 2022 by yurivict
1
kimpy is missing from install_requires
#80 opened Oct 7, 2022 by yurivict
RMSE analyzer bug
#79 opened Oct 6, 2022 by michaelmacisaac
1
Model training with cross validation
#78 opened Oct 6, 2022 by michaelmacisaac
1
Increased Descriptor selection
#77 opened Sep 29, 2022 by michaelmacisaac
1
Feature request: Parallelization of Model Creation
#76 opened Sep 27, 2022 by adityakavalur
4
Issue with .create() method when recreating SiC NN example
#71 opened Sep 7, 2022 by michaelmacisaac
9
How to write the SiC trained model to a KIM model in your example?
#45 opened Mar 31, 2022 by ChesterCs-thu
8
Please add 'test_requires' to setup.py
#11 opened Aug 4, 2021 by yurivict
4
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