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python-app.yml
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Add SOAP forcefields CI #58: Pull request #19 synchronize by WardLT
October 16, 2023 14:10 4m 32s soap_gpy
soap_gpy
October 16, 2023 14:10 4m 32s
Refactor for SOAP too CI #57: Commit 40dd787 pushed by WardLT
October 16, 2023 14:10 4m 1s soap_gpy
soap_gpy
October 16, 2023 14:10 4m 1s
Add SOAP forcefields CI #56: Pull request #19 synchronize by WardLT
October 16, 2023 13:38 1m 47s soap_gpy
soap_gpy
October 16, 2023 13:38 1m 47s
Refactor the global descriptor class CI #55: Commit a6318ab pushed by WardLT
October 16, 2023 13:38 3m 43s soap_gpy
soap_gpy
October 16, 2023 13:38 3m 43s
Add SOAP forcefields CI #54: Pull request #19 synchronize by WardLT
October 13, 2023 18:49 2m 5s soap_gpy
soap_gpy
October 13, 2023 18:49 2m 5s
Group DScribe-based approaches together CI #53: Commit 0a2a687 pushed by WardLT
October 13, 2023 18:49 4m 24s soap_gpy
soap_gpy
October 13, 2023 18:49 4m 24s
Add SOAP forcefields CI #52: Pull request #19 synchronize by WardLT
October 11, 2023 18:55 4m 44s soap_gpy
soap_gpy
October 11, 2023 18:55 4m 44s
Add ability to run on GPUs CI #51: Commit 8929791 pushed by WardLT
October 11, 2023 18:55 4m 27s soap_gpy
soap_gpy
October 11, 2023 18:55 4m 27s
Add SOAP forcefields CI #50: Pull request #19 opened by WardLT
October 5, 2023 21:21 5m 1s soap_gpy
soap_gpy
October 5, 2023 21:21 5m 1s
Scale the input descriptors CI #49: Commit 7bda892 pushed by WardLT
October 5, 2023 21:04 3m 49s soap_gpy
soap_gpy
October 5, 2023 21:04 3m 49s
Switch to an approximate kernel CI #48: Commit c29e30c pushed by WardLT
October 5, 2023 19:59 3m 49s soap_gpy
soap_gpy
October 5, 2023 19:59 3m 49s
Bug fixes: reset opt each epoch, scale atomic energies CI #47: Commit 3633388 pushed by WardLT
October 5, 2023 17:48 3m 49s soap_gpy
soap_gpy
October 5, 2023 17:48 3m 49s
Flake8 fix CI #46: Commit 2488d50 pushed by WardLT
October 5, 2023 16:34 4m 43s soap_gpy
soap_gpy
October 5, 2023 16:34 4m 43s
Add scaling factors to calculator, simplify interfaces CI #45: Commit 0798f29 pushed by WardLT
October 5, 2023 16:27 3m 39s soap_gpy
soap_gpy
October 5, 2023 16:27 3m 39s
Add an ASE calculator that uses SOAP and GPy CI #44: Commit cbf650f pushed by WardLT
October 5, 2023 12:19 4m 0s soap_gpy
soap_gpy
October 5, 2023 12:19 4m 0s
Add parts of the SOAP model CI #43: Commit f0bfe2a pushed by WardLT
October 4, 2023 21:39 4m 37s soap_gpy
soap_gpy
October 4, 2023 21:39 4m 37s
Add gpytorch to the environment CI #42: Commit b4b1f0a pushed by WardLT
October 4, 2023 21:39 4m 29s soap_gpy
soap_gpy
October 4, 2023 21:39 4m 29s
Sample as if computing numerical derivatives (#17) CI #41: Commit 0ea5b99 pushed by WardLT
October 4, 2023 17:34 3m 42s main
main
October 4, 2023 17:34 3m 42s
Sample as if computing numerical CI #40: Pull request #17 opened by WardLT
October 4, 2023 17:22 3m 41s baseline-sampling
baseline-sampling
October 4, 2023 17:22 3m 41s
Add example of using this new data CI #39: Commit 768724e pushed by WardLT
October 4, 2023 17:15 3m 45s baseline-sampling
baseline-sampling
October 4, 2023 17:15 3m 45s
Add code for combining perturbations into single tasks CI #38: Commit 18dcab7 pushed by WardLT
October 4, 2023 15:58 4m 37s baseline-sampling
baseline-sampling
October 4, 2023 15:58 4m 37s
Start notebook for displacing along axes CI #37: Commit 12a6e2d pushed by WardLT
October 4, 2023 13:38 3m 39s baseline-sampling
baseline-sampling
October 4, 2023 13:38 3m 39s
Separate notebooks for exact answer, steps in fitting (#14) CI #36: Commit 93dc2ab pushed by WardLT
October 3, 2023 14:10 5m 21s main
main
October 3, 2023 14:10 5m 21s
Separate notebooks for exact answer, steps in fitting CI #35: Pull request #14 opened by WardLT
October 3, 2023 14:06 3m 46s notebook_refactor
notebook_refactor
October 3, 2023 14:06 3m 46s
Accept "None" as an option CI #34: Commit 603cc3a pushed by WardLT
October 3, 2023 14:05 3m 47s notebook_refactor
notebook_refactor
October 3, 2023 14:05 3m 47s