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
Moved older descriptor, calculator, loss to legacy + tests fixed
#186
ipcamit
closed
2 days ago
0
Kliff DNN torch trainer
#185
ipcamit
closed
1 week ago
1
Auto-update pre-commit hooks
#184
github-actions[bot]
closed
1 week ago
0
KIM Trainer and tests
#183
ipcamit
closed
2 weeks ago
1
Kliff master v1 lightning
#182
ipcamit
closed
2 weeks ago
2
Inquiry Regarding Random Perturbations in Diamond Silicon Experiments
#181
LiMahappy
opened
1 month ago
0
Bump mamba-org/setup-micromamba from 1.8.1 to 1.9.0
#180
dependabot[bot]
closed
2 weeks ago
0
The Neural Network Potential in Parallel
#179
LiMahappy
opened
1 month ago
2
Trainer framework
#178
ipcamit
closed
3 weeks ago
4
Extracting and Converting from OUTCAR File to XYZ File
#177
LiMahappy
opened
2 months ago
6
Alternative Error Functions for Loss Calculation
#176
kbushick
opened
3 months ago
1
Bump actions/setup-python from 5.0.0 to 5.1.0
#175
dependabot[bot]
closed
2 weeks ago
0
ColabFit Changes
#174
EFuem
closed
3 months ago
3
Auto-update pre-commit hooks
#173
github-actions[bot]
closed
2 weeks ago
0
Design Review 1: KLIFF Trainer framework
#172
ipcamit
closed
2 months ago
9
Remove installing kimpy from conda in CI, it causes problem on macOS
#171
mjwen
closed
4 months ago
0
Fix reading/writing xyz using T/F as PBC
#170
mjwen
closed
4 months ago
0
"T/F" of PBC when reading ".xyz" datasets
#169
hghermes
closed
4 months ago
3
libdescriptor not available for macOS
#168
mjwen
opened
4 months ago
1
Install kimpy from conda in GH actions
#167
mjwen
closed
4 months ago
1
Bump mamba-org/setup-micromamba from 1.8.0 to 1.8.1
#166
dependabot[bot]
closed
4 months ago
0
Add codecov check for test coverage
#165
mjwen
closed
4 months ago
1
Added tests for newer modules
#164
ipcamit
closed
4 months ago
1
Auto-update pre-commit hooks
#163
github-actions[bot]
closed
5 months ago
0
Colabfit enhancments by Eric
#162
ipcamit
closed
5 months ago
2
Order of arguments path and ase_atoms_list was switched in Dataset
#161
marcoscaa
closed
5 months ago
1
Bump peter-evans/create-pull-request from 5 to 6
#160
dependabot[bot]
closed
5 months ago
0
Bump mamba-org/setup-micromamba from 1.7.3 to 1.8.0
#159
dependabot[bot]
closed
5 months ago
0
Auto-update pre-commit hooks
#158
github-actions[bot]
closed
5 months ago
0
Format using black 24.1.0
#157
mjwen
closed
5 months ago
0
Fix tests due to function name changes
#156
mjwen
closed
5 months ago
2
Fix tests due to fn name changes
#155
mjwen
closed
5 months ago
0
Auto-update pre-commit hooks
#154
github-actions[bot]
closed
5 months ago
0
Added complete transform module for graph generation and
#153
ipcamit
closed
5 months ago
9
Bump actions/setup-python from 4.7.1 to 5.0.0
#152
dependabot[bot]
closed
6 months ago
0
Auto-update pre-commit hooks
#151
github-actions[bot]
closed
6 months ago
0
Fix readthedoc docs build
#150
mjwen
closed
6 months ago
0
Simplify installation docs
#149
mjwen
closed
6 months ago
0
Update installation docs for dependencies
#148
mjwen
closed
6 months ago
0
Update conda installation guide
#147
mjwen
closed
6 months ago
0
Deprecate travis build
#146
mjwen
closed
7 months ago
0
Fix GH test with ptemcee
#145
mjwen
closed
7 months ago
0
Fix installing ptemcee
#144
mjwen
closed
7 months ago
0
Update GH actions to use latest conda-forge kim-api and test on macOS
#143
mjwen
closed
7 months ago
0
Auto-update pre-commit hooks
#142
github-actions[bot]
closed
7 months ago
0
Fix bug when we try to set NN parameter with different dtype
#141
yonatank93
closed
7 months ago
6
Fundamental changes to KIM models, transforms, and parameter classes
#140
ipcamit
closed
6 months ago
15
Data type mismatch when trying to update parameters in the NN model
#139
yonatank93
closed
7 months ago
7
Add Py3.10
#138
mjwen
closed
8 months ago
0
Update the ptemcee dependency
#137
yonatank93
closed
8 months ago
6
Next