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added imports to all __init__.py files
Test and Lint #265: Commit f987c00 pushed by wolearyc
September 23, 2024 03:14 12m 19s dev
dev
September 23, 2024 03:14 12m 19s
documentation improvements
Test and Lint #264: Commit 0451106 pushed by wolearyc
September 22, 2024 04:07 9m 57s dev
dev
September 22, 2024 04:07 9m 57s
refactor np.isclose(...).all() -> np.allclose(...)
Test and Lint #263: Commit c54d990 pushed by wolearyc
September 20, 2024 23:16 9m 52s dev
dev
September 20, 2024 23:16 9m 52s
dataset and potgnn internally scales polarizability
Test and Lint #262: Commit 7722d49 pushed by wolearyc
September 20, 2024 19:09 9m 55s dev
dev
September 20, 2024 19:09 9m 55s
renamed tensor<->vector utilities
Test and Lint #261: Commit 2ab314e pushed by wolearyc
September 20, 2024 15:54 10m 15s dev
dev
September 20, 2024 15:54 10m 15s
fix dimension of output of mean_polarizability and std_polarizability
Test and Lint #260: Commit dbf85d5 pushed by wolearyc
September 20, 2024 01:34 9m 55s dev
dev
September 20, 2024 01:34 9m 55s
parameter validation and private classes
Test and Lint #259: Commit 9c4d578 pushed by wolearyc
September 19, 2024 22:14 10m 1s dev
dev
September 19, 2024 22:14 10m 1s
dataset now works with single lattice, atomic_numbers
Test and Lint #258: Commit 3f500d0 pushed by wolearyc
September 19, 2024 21:47 10m 19s dev
dev
September 19, 2024 21:47 10m 19s
added train function
Test and Lint #257: Commit de9a8e9 pushed by wolearyc
September 19, 2024 20:29 10m 30s dev
dev
September 19, 2024 20:29 10m 30s
make PotGNN a subclass of PolarizabilityModel
Test and Lint #256: Commit d1fcf96 pushed by wolearyc
September 18, 2024 23:21 10m 17s dev
dev
September 18, 2024 23:21 10m 17s
annotation-based type checking for PolarizabilityDataset
Test and Lint #255: Commit 8aa0287 pushed by wolearyc
September 18, 2024 03:53 10m 9s dev
dev
September 18, 2024 03:53 10m 9s
added [torch] install option
Test and Lint #254: Commit 1148a0e pushed by wolearyc
September 17, 2024 20:13 10m 14s dev
dev
September 17, 2024 20:13 10m 14s
[torch] build option
Test and Lint #253: Pull request #24 synchronize by wolearyc
September 17, 2024 20:07 13m 6s build-test
September 17, 2024 20:07 13m 6s
Merge branch 'dev' into build-test
Test and Lint #252: Commit 51bb9bb pushed by wolearyc
September 17, 2024 20:07 11m 0s build-test
September 17, 2024 20:07 11m 0s
torch install options
Test and Lint #251: Commit f6b377d pushed by wolearyc
September 17, 2024 20:02 10m 2s build-test
September 17, 2024 20:02 10m 2s
dep updates
Test and Lint #250: Commit 9784f8b pushed by wolearyc
September 17, 2024 18:49 11m 0s build-test
September 17, 2024 18:49 11m 0s
updated build system for readthedocs compatability (#23)
Test and Lint #249: Commit ad77668 pushed by wolearyc
September 16, 2024 23:17 10m 2s dev
dev
September 16, 2024 23:17 10m 2s
updated build system for readthedocs
Test and Lint #248: Pull request #23 opened by wolearyc
September 16, 2024 23:02 9m 50s build-test
September 16, 2024 23:02 9m 50s
added pip options to top of requirements files
Test and Lint #247: Commit 6c57108 pushed by wolearyc
September 16, 2024 22:58 10m 19s build-test
September 16, 2024 22:58 10m 19s
specified conf.py path
Test and Lint #246: Commit a63dfdc pushed by wolearyc
September 16, 2024 22:53 7m 12s build-test
September 16, 2024 22:53 7m 12s
added sphinx command back
Test and Lint #245: Commit 2727044 pushed by wolearyc
September 16, 2024 22:47 10m 0s build-test
September 16, 2024 22:47 10m 0s
removed sphinx command from build
Test and Lint #244: Commit 49b4b1e pushed by wolearyc
September 16, 2024 22:45 9m 56s build-test
September 16, 2024 22:45 9m 56s
corrected build steps
Test and Lint #243: Commit 157db3e pushed by wolearyc
September 16, 2024 22:37 10m 11s build-test
September 16, 2024 22:37 10m 11s
added no-index option
Test and Lint #242: Commit 9fc0c70 pushed by wolearyc
September 16, 2024 22:31 6m 33s build-test
September 16, 2024 22:31 6m 33s
manual build for readthedocs
Test and Lint #241: Commit 3cfcd4c pushed by wolearyc
September 16, 2024 22:24 10m 6s build-test
September 16, 2024 22:24 10m 6s