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Create dependabot.yml
Test and Lint #113: Commit abc661d pushed by wolearyc
August 30, 2024 01:33 1m 24s main
August 30, 2024 01:33 1m 24s
renamed *_file args to file where appropriate
Test and Lint #112: Commit a613713 pushed by wolearyc
August 30, 2024 01:26 1m 32s dependabot
August 30, 2024 01:26 1m 32s
renamed *_file args to file where appropriate
Test and Lint #111: Commit a613713 pushed by wolearyc
August 30, 2024 01:14 1m 45s dev
dev
August 30, 2024 01:14 1m 45s
added molecular dynamics tutorial
Test and Lint #110: Commit 88242fe pushed by wolearyc
August 30, 2024 01:04 1m 37s dev
dev
August 30, 2024 01:04 1m 37s
more sensible default out_wavenumbers for convolve_spectrum
Test and Lint #109: Commit 8419de1 pushed by wolearyc
August 30, 2024 00:06 1m 27s dev
dev
August 30, 2024 00:06 1m 27s
added reading trajectory from outcar
Test and Lint #108: Commit bef82ce pushed by wolearyc
August 29, 2024 03:28 1m 27s dev
dev
August 29, 2024 03:28 1m 27s
added xdatcar IO
Test and Lint #107: Commit ea00e68 pushed by wolearyc
August 28, 2024 03:28 1m 24s dev
dev
August 28, 2024 03:28 1m 24s
calc_displacement computes displacement wrt first arg
Test and Lint #106: Commit 2391109 pushed by wolearyc
August 27, 2024 23:19 1m 29s dev
dev
August 27, 2024 23:19 1m 29s
calculate_displacement -> calc_displacement
Test and Lint #105: Commit 7d596d5 pushed by wolearyc
August 27, 2024 19:43 1m 31s dev
dev
August 27, 2024 19:43 1m 31s
version bump
Test and Lint #104: Commit ddf12b5 pushed by wolearyc
August 27, 2024 12:13 1m 23s dev
dev
August 27, 2024 12:13 1m 23s
[pre-commit.ci] pre-commit autoupdate
Test and Lint #103: Pull request #8 opened by pre-commit-ci bot
August 26, 2024 21:04 1m 16s pre-commit-ci-update-config
August 26, 2024 21:04 1m 16s
[pre-commit.ci] pre-commit autoupdate
Test and Lint #102: Commit 9408401 pushed by pre-commit-ci bot
August 26, 2024 21:04 1m 19s pre-commit-ci-update-config
August 26, 2024 21:04 1m 19s
version bump
Test and Lint #101: Commit ddf12b5 pushed by wolearyc
August 23, 2024 14:54 1m 18s 0.2.1
August 23, 2024 14:54 1m 18s
version bump
Test and Lint #100: Commit ddf12b5 pushed by wolearyc
August 23, 2024 14:51 1m 20s main
August 23, 2024 14:51 1m 20s
corrected major flaw in _get_positions_permutation_matrix algorithm
Test and Lint #99: Commit cbcb421 pushed by wolearyc
August 22, 2024 22:40 3m 40s gnn
gnn
August 22, 2024 22:40 3m 40s
fixed build system issues caused by torch
Test and Lint #98: Commit a30916a pushed by wolearyc
August 22, 2024 21:41 3m 8s gnn
gnn
August 22, 2024 21:41 3m 8s
fixed torch_extra_requirements.txt
Test and Lint #97: Commit c3d58e5 pushed by wolearyc
August 22, 2024 21:30 3m 25s actions-debug
August 22, 2024 21:30 3m 25s
split requirements.txt again
Test and Lint #96: Commit 8e73ba2 pushed by wolearyc
August 22, 2024 21:26 3m 16s actions-debug
August 22, 2024 21:26 3m 16s
fixed requirements.txt
Test and Lint #95: Commit edfed37 pushed by wolearyc
August 22, 2024 21:21 20s actions-debug
August 22, 2024 21:21 20s
added torch-specific requirements.txt
Test and Lint #94: Commit 9792cba pushed by wolearyc
August 22, 2024 21:01 1m 41s actions-debug
August 22, 2024 21:01 1m 41s
fixed dependencies and list unpacking
Test and Lint #93: Commit 8d8af1b pushed by wolearyc
August 22, 2024 20:50 20s actions-debug
August 22, 2024 20:50 20s
fixed problematic list unpacking, updated flake8 args in action
Test and Lint #92: Commit 885b8ff pushed by wolearyc
August 22, 2024 20:40 3m 7s actions-debug
August 22, 2024 20:40 3m 7s
fixed problematic list unpacking, updated flake8 args in action
Test and Lint #91: Commit 885b8ff pushed by wolearyc
August 22, 2024 20:35 3m 19s gnn
gnn
August 22, 2024 20:35 3m 19s
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