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python-app.yml
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Add configurations needed for Aurora (#40) CI #233: Commit 712a46f pushed by WardLT
January 3, 2024 16:53 5m 57s main
main
January 3, 2024 16:53 5m 57s
Add configurations needed for Aurora CI #232: Pull request #40 opened by WardLT
January 3, 2024 16:53 6m 6s aurora
aurora
January 3, 2024 16:53 6m 6s
Add configuration which runs >1 ExaChem at a time CI #231: Commit a46b0c7 pushed by WardLT
January 3, 2024 16:52 6m 16s aurora
aurora
January 3, 2024 16:52 6m 16s
Use per-element ML models for local descriptors (#39) CI #230: Commit 496c16f pushed by WardLT
December 31, 2023 20:46 6m 5s main
main
December 31, 2023 20:46 6m 5s
Use per-element ML models for local descriptors CI #229: Pull request #39 synchronize by WardLT
December 29, 2023 16:32 6m 6s per-element
per-element
December 29, 2023 16:32 6m 6s
Add lengthscale as option, remove HPO from notebook CI #228: Commit a4bf938 pushed by WardLT
December 29, 2023 16:32 6m 15s per-element
per-element
December 29, 2023 16:32 6m 15s
Use per-element ML models for local descriptors CI #227: Pull request #39 synchronize by WardLT
December 27, 2023 18:05 6m 15s per-element
per-element
December 27, 2023 18:05 6m 15s
Bug fix: Only scale forces one CI #226: Commit 9e9ce03 pushed by WardLT
December 27, 2023 18:05 6m 11s per-element
per-element
December 27, 2023 18:05 6m 11s
Use per-element ML models for local descriptors CI #225: Pull request #39 opened by WardLT
December 26, 2023 17:32 6m 23s per-element
per-element
December 26, 2023 17:32 6m 23s
Use per-atom scaling in train, add patience to training CI #224: Commit fd1a049 pushed by WardLT
December 26, 2023 17:30 6m 6s per-element
per-element
December 26, 2023 17:30 6m 6s
Scale scaling constants by number of atoms CI #223: Commit b8e4beb pushed by WardLT
December 25, 2023 18:49 6m 6s per-element
per-element
December 25, 2023 18:49 6m 6s
Ensuring matrices are on same devices CI #222: Commit 725db57 pushed by WardLT
December 25, 2023 18:12 6m 4s per-element
per-element
December 25, 2023 18:12 6m 4s
Implement a per-element version of SOAP CI #221: Commit a01614c pushed by WardLT
December 25, 2023 18:01 6m 9s per-element
per-element
December 25, 2023 18:01 6m 9s
Add debug configuration for aurora CI #220: Commit 97857f3 pushed by WardLT
December 25, 2023 13:45 5m 55s aurora
aurora
December 25, 2023 13:45 5m 55s
Add ability to run ExaChem (#38) CI #219: Commit 0033eb9 pushed by WardLT
December 24, 2023 17:21 6m 7s main
main
December 24, 2023 17:21 6m 7s
Add ability to run ExaChem CI #218: Pull request #38 synchronize by WardLT
December 24, 2023 17:08 6m 1s exachem
exachem
December 24, 2023 17:08 6m 1s
Support passing arguments for ExaChem CI #217: Commit 55a15b5 pushed by WardLT
December 24, 2023 17:08 6m 6s exachem
exachem
December 24, 2023 17:08 6m 6s
Add ability to run ExaChem CI #216: Pull request #38 synchronize by WardLT
December 24, 2023 17:08 6m 5s exachem
exachem
December 24, 2023 17:08 6m 5s
Add a config for local CI #215: Commit 21a246e pushed by WardLT
December 24, 2023 17:08 6m 0s exachem
exachem
December 24, 2023 17:08 6m 0s
Add ability to run ExaChem CI #214: Pull request #38 opened by WardLT
December 24, 2023 17:08 5m 59s exachem
exachem
December 24, 2023 17:08 5m 59s
Make the code an optional argument CI #213: Commit d897b4a pushed by WardLT
December 24, 2023 16:38 6m 3s exachem
exachem
December 24, 2023 16:38 6m 3s
Add function which returns the MVN (#37) CI #212: Commit 35a23ac pushed by WardLT
December 24, 2023 16:34 6m 1s exachem
exachem
December 24, 2023 16:34 6m 1s
Add vibrations along estimated vibrational modes (#27) CI #211: Commit 1647a9c pushed by WardLT
December 24, 2023 16:34 2m 34s exachem
exachem
December 24, 2023 16:34 2m 34s
Started a per-element SOAP model CI #210: Commit a3eb541 pushed by WardLT
December 14, 2023 15:53 5m 26s big-test
big-test
December 14, 2023 15:53 5m 26s
Add function which returns the MVN (#37) CI #209: Commit 35a23ac pushed by WardLT
December 13, 2023 20:28 6m 0s main
main
December 13, 2023 20:28 6m 0s