issues
search
openkim
/
kliff
KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
https://kliff.readthedocs.io
GNU Lesser General Public License v2.1
34
stars
20
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Data type mismatch when trying to update parameters in the NN model
#139
yonatank93
closed
8 months ago
7
Add Py3.10
#138
mjwen
closed
9 months ago
0
Update the ptemcee dependency
#137
yonatank93
closed
9 months ago
6
GitHub cache
#136
mjwen
closed
9 months ago
0
Dataset object for v1
#135
ipcamit
closed
9 months ago
1
Bump actions/setup-python from 4.7.0 to 4.7.1
#134
dependabot[bot]
closed
9 months ago
0
Bump actions/checkout from 3 to 4
#133
dependabot[bot]
closed
9 months ago
0
First changes for `Parameter` class
#132
ipcamit
closed
9 months ago
3
Auto-update pre-commit hooks
#131
github-actions[bot]
closed
9 months ago
0
Auto-update pre-commit hooks
#130
github-actions[bot]
closed
11 months ago
0
Recreate docs building codes
#129
mjwen
closed
1 year ago
0
Bump actions/setup-python from 4.6.1 to 4.7.0
#128
dependabot[bot]
closed
1 year ago
0
Update "ptemcee" and "emcee"
#127
mjwen
closed
8 months ago
5
Refactor UQ tests
#126
mjwen
opened
1 year ago
6
Refactor test
#125
mjwen
closed
1 year ago
0
Auto-update pre-commit hooks
#124
github-actions[bot]
closed
1 year ago
0
Auto-update pre-commit hooks
#123
github-actions[bot]
closed
1 year ago
0
Bump actions/setup-python from 4.5.0 to 4.6.1
#122
dependabot[bot]
closed
1 year ago
0
Bump peter-evans/create-pull-request from 4 to 5
#121
dependabot[bot]
closed
1 year ago
0
Bump actions/setup-python from 4.5.0 to 4.6.0
#120
dependabot[bot]
closed
1 year ago
1
Updated functionality to load from ColabFit
#119
EFuem
closed
1 year ago
4
KLIFF ML Merge ahead of MACH
#118
ipcamit
closed
9 months ago
1
Update CI to fix cmake version
#117
mjwen
closed
1 year ago
0
`VisibleDeprecationWarning` in weight class
#116
ipcamit
opened
1 year ago
4
Auto-update pre-commit hooks
#115
github-actions[bot]
closed
1 year ago
0
outdated ptemcee fail tests
#114
mjwen
opened
1 year ago
1
Trained LJ potential cannot reproduce DFT pressure
#113
lnnbig
opened
1 year ago
1
Add multiple species support of LJ
#112
mjwen
closed
1 year ago
0
Two elemental species in Lennard-Jones potential
#111
lnnbig
closed
1 year ago
1
Bump pybind11 from 2.10.3 to 2.10.4
#110
dependabot[bot]
closed
1 year ago
1
how to set the cutoff parameter in the Lennard-Jones potential
#109
lnnbig
closed
1 year ago
2
Remove requirements.txt, add info in setup.py
#108
mjwen
closed
1 year ago
0
WIP: Implement bootstrap
#107
yonatank93
closed
1 year ago
19
Bump scipy from 1.10.0 to 1.10.1
#106
dependabot[bot]
closed
1 year ago
1
Auto-update pre-commit hooks
#105
github-actions[bot]
closed
1 year ago
0
KLIFF ML Branch
#104
ipcamit
closed
1 year ago
0
Bump numpy from 1.24.1 to 1.24.2
#103
dependabot[bot]
closed
1 year ago
0
Kim model driver for analytical potential
#102
Rana-Phy
opened
1 year ago
3
Bump actions/setup-python from 4.4.0 to 4.5.0
#101
dependabot[bot]
closed
1 year ago
0
Bump scipy from 1.9.3 to 1.10.0
#100
dependabot[bot]
closed
1 year ago
0
Bump pybind11 from 2.10.2 to 2.10.3
#99
dependabot[bot]
closed
1 year ago
0
Auto-update pre-commit hooks
#98
github-actions[bot]
closed
1 year ago
0
Bump numpy from 1.24.0 to 1.24.1
#97
dependabot[bot]
closed
1 year ago
0
Bump actions/setup-python from 4.3.1 to 4.4.0
#96
dependabot[bot]
closed
1 year ago
0
Fix _WrapperCalculator
#95
mjwen
closed
1 year ago
0
Bump pybind11 from 2.10.0 to 2.10.2
#94
dependabot[bot]
closed
1 year ago
0
How to use multiple calculators in the loss function?
#93
yonatank93
opened
1 year ago
3
Bump numpy from 1.23.3 to 1.24.0
#92
dependabot[bot]
closed
1 year ago
0
Bump actions/setup-python from 4.2.0 to 4.3.1
#91
dependabot[bot]
closed
1 year ago
0
Fix neighbor list bug
#90
mjwen
closed
1 year ago
0
Previous
Next