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Unifying the notation between the jitted and non-jitted orbital optimizers. Installing Grad-DFT and running tests #144: Pull request #74 opened by PabloAMC
September 20, 2023 19:12 16m 19s 73-unifying-notation-between-jitted-and-non-jitted-orbital-optimizers
73-unifying-notation-between-jitted-and-non-jitted-orbital-optimizers
September 20, 2023 19:12 16m 19s
Add "Open in colab" button in the jupyter notebook. Installing Grad-DFT and running tests #143: Pull request #70 opened by PabloAMC
September 19, 2023 11:02 18m 23s 69-add-an-open-in-colab-button-to-the-jupyter-notebook-in-the-examples-folder
69-add-an-open-in-colab-button-to-the-jupyter-notebook-in-the-examples-folder
September 19, 2023 11:02 18m 23s
Getting started jupyter notebook included as a basic tutorial Installing Grad-DFT and running tests #142: Pull request #68 opened by jackbaker1001
September 19, 2023 03:43 14m 26s 29-make-an-example-notebook-displaying-the-different-kind-of-loss-functions
29-make-an-example-notebook-displaying-the-different-kind-of-loss-functions
September 19, 2023 03:43 14m 26s
getting started notebook covers training functionals using different … Installing Grad-DFT and running tests #141: Commit 25131fc pushed by jackbaker1001
September 19, 2023 03:42 24m 14s 29-make-an-example-notebook-displaying-the-different-kind-of-loss-functions
29-make-an-example-notebook-displaying-the-different-kind-of-loss-functions
September 19, 2023 03:42 24m 14s
Reduce CI costs and time Installing Grad-DFT and running tests #140: Pull request #65 opened by jackbaker1001
September 18, 2023 17:19 18m 58s 64-reduce-ci-costs
64-reduce-ci-costs
September 18, 2023 17:19 18m 58s
Update README.md Installing Grad-DFT and running tests #139: Commit e5d01c0 pushed by jackbaker1001
September 18, 2023 17:16 21m 17s 64-reduce-ci-costs
64-reduce-ci-costs
September 18, 2023 17:16 21m 17s
added warning for B3LYP test copied from the similar test in test_fun… Installing Grad-DFT and running tests #138: Commit da502d0 pushed by jackbaker1001
September 18, 2023 15:13 48m 39s 29-make-an-example-notebook-displaying-the-different-kind-of-loss-functions
29-make-an-example-notebook-displaying-the-different-kind-of-loss-functions
September 18, 2023 15:13 48m 39s
Update README.md Installing Grad-DFT and running tests #137: Commit e5d01c0 pushed by PabloAMC
September 18, 2023 15:11 26m 57s main
main
September 18, 2023 15:11 26m 57s
Update README.md Installing Grad-DFT and running tests #136: Commit bce4f5b pushed by PabloAMC
September 18, 2023 14:58 39m 48s main
main
September 18, 2023 14:58 39m 48s
Merge pull request #63 from XanaduAI/18-useful-functionality-should-b… Installing Grad-DFT and running tests #135: Commit 06c2e3e pushed by PabloAMC
September 18, 2023 14:58 19m 30s main
main
September 18, 2023 14:58 19m 30s
Updating the way constraints are loaded Installing Grad-DFT and running tests #134: Commit 3981b92 pushed by PabloAMC
September 18, 2023 12:26 18m 59s 18-useful-functionality-should-be-loadable-from-top-level-module
18-useful-functionality-should-be-loadable-from-top-level-module
September 18, 2023 12:26 18m 59s
Update README.md Installing Grad-DFT and running tests #133: Commit c8bb48b pushed by PabloAMC
September 18, 2023 11:56 31s main
main
September 18, 2023 11:56 31s
Update README.md Installing Grad-DFT and running tests #132: Commit a18e4f9 pushed by PabloAMC
September 18, 2023 11:53 36m 59s 18-useful-functionality-should-be-loadable-from-top-level-module
18-useful-functionality-should-be-loadable-from-top-level-module
September 18, 2023 11:53 36m 59s
Update README.md Installing Grad-DFT and running tests #131: Commit 30869de pushed by PabloAMC
September 18, 2023 11:50 4m 34s 18-useful-functionality-should-be-loadable-from-top-level-module
18-useful-functionality-should-be-loadable-from-top-level-module
September 18, 2023 11:50 4m 34s
Update README.md Installing Grad-DFT and running tests #130: Commit 54c64c5 pushed by PabloAMC
September 18, 2023 11:49 5m 14s 18-useful-functionality-should-be-loadable-from-top-level-module
18-useful-functionality-should-be-loadable-from-top-level-module
September 18, 2023 11:49 5m 14s
Update README.md Installing Grad-DFT and running tests #129: Commit f381940 pushed by PabloAMC
September 18, 2023 11:48 6m 39s 18-useful-functionality-should-be-loadable-from-top-level-module
18-useful-functionality-should-be-loadable-from-top-level-module
September 18, 2023 11:48 6m 39s
Separating tests against PySCF and jit versions Installing Grad-DFT and running tests #128: Commit eadcca1 pushed by PabloAMC
September 18, 2023 11:47 20m 38s 18-useful-functionality-should-be-loadable-from-top-level-module
18-useful-functionality-should-be-loadable-from-top-level-module
September 18, 2023 11:47 20m 38s
Update README.md Installing Grad-DFT and running tests #127: Commit 9b34289 pushed by PabloAMC
September 18, 2023 11:12 39m 45s 18-useful-functionality-should-be-loadable-from-top-level-module
18-useful-functionality-should-be-loadable-from-top-level-module
September 18, 2023 11:12 39m 45s
Update test_predict_DM21.py Installing Grad-DFT and running tests #126: Commit baa064d pushed by PabloAMC
September 18, 2023 10:57 36m 19s 18-useful-functionality-should-be-loadable-from-top-level-module
18-useful-functionality-should-be-loadable-from-top-level-module
September 18, 2023 10:57 36m 19s
Allowing to import directly from grad_dft Installing Grad-DFT and running tests #125: Commit 647c572 pushed by PabloAMC
September 18, 2023 10:56 37m 17s 18-useful-functionality-should-be-loadable-from-top-level-module
18-useful-functionality-should-be-loadable-from-top-level-module
September 18, 2023 10:56 37m 17s
Merge pull request #59 from XanaduAI/37-removing-stop_gradient-for-th… Installing Grad-DFT and running tests #124: Commit 9147c48 pushed by PabloAMC
September 18, 2023 10:55 19m 21s 18-useful-functionality-should-be-loadable-from-top-level-module
18-useful-functionality-should-be-loadable-from-top-level-module
September 18, 2023 10:55 19m 21s
Merge pull request #59 from XanaduAI/37-removing-stop_gradient-for-th… Installing Grad-DFT and running tests #123: Commit 9147c48 pushed by PabloAMC
September 15, 2023 22:53 20m 45s main
main
September 15, 2023 22:53 20m 45s
Merge branch 'main' into 37-removing-stop_gradient-for-the-non-xc-ene… Installing Grad-DFT and running tests #122: Commit 2d67707 pushed by PabloAMC
September 15, 2023 22:30 22m 0s 37-removing-stop_gradient-for-the-non-xc-energy-calculation
37-removing-stop_gradient-for-the-non-xc-energy-calculation
September 15, 2023 22:30 22m 0s
Update test_loss.py Installing Grad-DFT and running tests #121: Commit 4a937e3 pushed by PabloAMC
September 15, 2023 22:29 5m 38s 37-removing-stop_gradient-for-the-non-xc-energy-calculation
37-removing-stop_gradient-for-the-non-xc-energy-calculation
September 15, 2023 22:29 5m 38s
Removing num_elec to avoid inconsistencies in Molecule Installing Grad-DFT and running tests #120: Commit 7397e3b pushed by PabloAMC
September 15, 2023 22:03 3m 59s 37-removing-stop_gradient-for-the-non-xc-energy-calculation
37-removing-stop_gradient-for-the-non-xc-energy-calculation
September 15, 2023 22:03 3m 59s