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ACEsuit
/
ACEpotentials.jl
Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
MIT License
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Fix model loading for vector-type totaldegree
#271
wgst
opened
3 days ago
0
load_model not working for models with Vector-type "totaldegree"
#270
wgst
opened
3 days ago
0
Small fixes
#269
cortner
closed
2 weeks ago
0
Allow general Vref throughout codebase
#268
cortner
opened
2 weeks ago
0
treat rin for ace1
#267
cortner
closed
2 weeks ago
1
Re-export often-used symbols
#266
cortner
opened
2 weeks ago
5
Final Cleanup Before Registering 0.8.0
#265
cortner
closed
2 weeks ago
0
Committees
#264
cortner
closed
2 weeks ago
1
Add ZBL to Vref
#263
cortner
closed
2 weeks ago
0
Translate repulsion restraint to 0.8
#262
cortner
closed
2 weeks ago
0
WIP: Translate Chuck's Tutorial to 0.8
#261
cortner
closed
2 weeks ago
0
Constructing larger models (> 1000 basis functions) is very slow
#260
cortner
opened
2 weeks ago
0
linear_errors should be parallelized
#259
cortner
opened
2 weeks ago
0
Bugfixes for fast evaluator
#258
cortner
closed
2 weeks ago
0
linear_errors should be renamed
#257
cortner
closed
2 weeks ago
3
Fast evaluator
#256
cortner
closed
2 weeks ago
0
WIP: Save and Recover Project Information
#255
cortner
closed
2 weeks ago
6
WIP: add shell output file and simple analysis
#254
CheukHinHoJerry
closed
3 weeks ago
2
Load potential
#253
cortner
closed
3 weeks ago
0
Docs update
#252
cortner
closed
3 weeks ago
0
Option to provide validation set to acefit!
#251
cortner
closed
3 weeks ago
0
Application of Prior is Inconsistent
#250
cortner
opened
3 weeks ago
2
Sparsify Potential
#249
cortner
closed
2 weeks ago
2
Use Priors in runfit script
#248
cortner
closed
3 weeks ago
0
Shell script json inteface
#247
iamveronika
closed
3 weeks ago
4
Pushforwards
#246
cortner
closed
3 weeks ago
0
Smoothness Priors
#245
cortner
closed
3 weeks ago
1
Starting a test suite
#244
cortner
closed
3 weeks ago
5
Tweaks following a full pass through the documentation
#243
wcwitt
closed
3 weeks ago
6
Shell script should offer specification of output filename
#242
cortner
closed
3 weeks ago
9
Significant performance deterioration of basis in 0.8
#241
cortner
closed
3 weeks ago
1
Accuracy Regression
#240
cortner
closed
3 weeks ago
1
Should Model Parameters be Unitful?
#239
cortner
opened
3 weeks ago
1
Retire ACE1
#238
cortner
closed
3 weeks ago
2
Update CI for v0.6.x
#237
cortner
closed
1 month ago
0
Update CI
#236
cortner
closed
1 month ago
0
Registering Next Version
#235
cortner
closed
3 weeks ago
3
Replace repulsion restraint with ZBL reference
#234
cortner
closed
2 weeks ago
7
WIP: Trace
#233
cortner
opened
1 month ago
2
WIP: Add New Kernels to All Tests
#232
cortner
closed
1 month ago
1
WIP: New JSON Interface
#231
iamveronika
closed
3 weeks ago
8
Add TRACE Variants
#230
cortner
opened
1 month ago
0
Fix CI and Docs
#229
cortner
closed
1 month ago
0
Purify 2B in new kernels
#228
cortner
opened
1 month ago
5
WIP: Towards working CI.
#227
wcwitt
closed
1 month ago
4
Getting the CI back on track
#226
wcwitt
closed
1 month ago
1
WIP: Long tutorial
#225
wcwitt
opened
1 month ago
9
ACE1compat : basis mismatch
#224
cortner
closed
1 month ago
1
Updated runfits and acecompat
#223
iamveronika
closed
1 month ago
7
Links to ACEfit docs
#222
wcwitt
closed
3 weeks ago
1
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