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openkim
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kliff
KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
https://kliff.readthedocs.io
GNU Lesser General Public License v2.1
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Bump monty from 2022.1.19 to 2022.3.12
#40
dependabot[bot]
closed
2 years ago
0
Bump actions/checkout from 2 to 3
#39
dependabot[bot]
closed
2 years ago
0
Fix neighborlist
#38
mjwen
closed
2 years ago
0
Bug in Neighbors
#37
wilsonnater
closed
2 years ago
3
Bump actions/setup-python from 2 to 3
#36
dependabot[bot]
closed
2 years ago
0
Bump numpy from 1.21.4 to 1.22.2
#35
dependabot[bot]
closed
2 years ago
0
Bump pybind11 from 2.8.1 to 2.9.1
#34
dependabot[bot]
closed
2 years ago
0
Bump scipy from 1.7.3 to 1.8.0
#33
dependabot[bot]
closed
2 years ago
0
Bump loguru from 0.5.3 to 0.6.0
#32
dependabot[bot]
closed
2 years ago
0
Bump monty from 2021.12.1 to 2022.1.19
#31
dependabot[bot]
closed
2 years ago
0
Bump numpy from 1.21.4 to 1.22.1
#30
dependabot[bot]
closed
2 years ago
1
Bump monty from 2021.12.1 to 2022.1.12.1
#29
dependabot[bot]
closed
2 years ago
1
Bump numpy from 1.21.4 to 1.22.0
#28
dependabot[bot]
closed
2 years ago
1
Bump pybind11 from 2.8.1 to 2.9.0
#27
dependabot[bot]
closed
2 years ago
1
Bump numpy from 1.21.4 to 1.21.5
#26
dependabot[bot]
closed
2 years ago
1
Bump monty from 2021.8.17 to 2021.12.1
#25
dependabot[bot]
closed
2 years ago
0
Bump scipy from 1.7.2 to 1.7.3
#24
dependabot[bot]
closed
2 years ago
0
Add support to train NN model on GPU
#23
mjwen
closed
2 years ago
0
Bump numpy from 1.21.2 to 1.21.4
#22
dependabot[bot]
closed
2 years ago
0
Bump scipy from 1.7.1 to 1.7.2
#21
dependabot[bot]
closed
2 years ago
0
Bump pybind11 from 2.7.1 to 2.8.1
#20
dependabot[bot]
closed
2 years ago
0
Bump numpy from 1.21.2 to 1.21.3
#19
dependabot[bot]
closed
2 years ago
1
Bump pyyaml from 5.4.1 to 6.0
#18
dependabot[bot]
closed
2 years ago
0
Bump pybind11 from 2.7.1 to 2.8.0
#17
dependabot[bot]
closed
2 years ago
1
Bump monty from 2021.7.8 to 2021.8.17
#16
dependabot[bot]
closed
2 years ago
0
Bump numpy from 1.20.0 to 1.21.2
#15
dependabot[bot]
closed
3 years ago
0
Bump pybind11 from 2.7.0 to 2.7.1
#14
dependabot[bot]
closed
3 years ago
0
Bump scipy from 1.6.2 to 1.7.1
#13
dependabot[bot]
closed
3 years ago
0
[WIP] update links
#12
mjwen
closed
3 years ago
0
Please add 'test_requires' to setup.py
#11
yurivict
opened
3 years ago
4
Use .readthedocs.yml config file
#10
mjwen
closed
3 years ago
0
macOS py3.8 and higher parallel issues
#9
mjwen
closed
3 years ago
1
Is it possible to specify different lr for different layer or fix some layer?
#8
funan-jhc-lee
closed
3 years ago
1
What unit does a trained potential use?
#7
funan-jhc-lee
closed
3 years ago
2
v0.1.5 - missing neighbor_list.h
#6
jan-janssen
closed
4 years ago
5
How to use trained KIM model?
#5
ruoitrau86
closed
4 years ago
1
License of the kliff package
#4
jan-janssen
closed
4 years ago
1
Pytorch
#3
yafshar
closed
5 years ago
1
Does kliff only support periodic systems?
#2
ghost
closed
5 years ago
1
ValueError call wrong when using energies only
#1
SouthKoreaLN
closed
5 years ago
1
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