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Adds Velocity, ShearStress, StressDiagonal, observables (#285) docs #25: Commit b603535 pushed by alinelena
November 27, 2024 08:23 4s main
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November 27, 2024 08:23 4s
Update sevennet version in docs (#338) docs #24: Commit 19870d6 pushed by alinelena
October 25, 2024 00:15 4s main
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October 25, 2024 00:15 4s
Add progress bar to phonon calculations (#319) docs #23: Commit 6a3e176 pushed by alinelena
October 9, 2024 06:40 4s main
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October 9, 2024 06:40 4s
Fix singlepoint summary (#306) docs #22: Commit 6f3c395 pushed by alinelena
September 12, 2024 05:48 3s main
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September 12, 2024 05:48 3s
bump version for release 0.6.4 docs #21: Commit 9666272 pushed by alinelena
September 4, 2024 07:51 3s main
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September 4, 2024 07:51 3s
Update ALIGNN testing (#282) docs #20: Commit 6eafa4f pushed by alinelena
August 16, 2024 12:28 3s main
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August 16, 2024 12:28 3s
Fix sequences of atoms (#245) docs #19: Commit c2bea2a pushed by alinelena
August 6, 2024 19:41 3s main
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August 6, 2024 19:41 3s
bump version for release 0.6.3b2 docs #18: Commit 69fa718 pushed by alinelena
August 1, 2024 16:40 4s main
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August 1, 2024 16:40 4s
add sevennet support (#226) docs #17: Commit 8d77904 pushed by alinelena
August 1, 2024 06:42 3s main
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August 1, 2024 06:42 3s
Add correlator with stress correlations (#189) docs #16: Commit f2cd988 pushed by alinelena
July 24, 2024 08:22 3s main
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July 24, 2024 08:22 3s
Fix setting devices (#208) docs #15: Commit c1653dd pushed by alinelena
July 12, 2024 03:51 4s main
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July 12, 2024 03:51 4s
name ML properties in the results file by architecture, energy become… docs #14: Commit 2b43729 pushed by alinelena
June 5, 2024 13:22 4s main
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June 5, 2024 13:22 4s
bump version for release 0.5.0b0 docs #13: Commit ee0d76d pushed by alinelena
May 31, 2024 13:18 3s main
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May 31, 2024 13:18 3s
add option to write eigenvectors and extra info in bands, useful for … docs #12: Commit 98d873b pushed by alinelena
May 28, 2024 18:08 3s main
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May 28, 2024 18:08 3s
add spacegroup determination to geometry optimisation (#153) docs #11: Commit 404e6c5 pushed by alinelena
May 28, 2024 14:48 3s main
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May 28, 2024 14:48 3s
fix restart time bug, by converting the offset part to fs and skip st… docs #10: Commit 27c7e0e pushed by alinelena
May 28, 2024 07:37 2s main
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May 28, 2024 07:37 2s
Add phonons (#143) docs #9: Commit 3e2adb8 pushed by alinelena
May 26, 2024 09:29 3s main
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May 26, 2024 09:29 3s
Add equation of state (#146) docs #8: Commit f12a5c7 pushed by alinelena
May 23, 2024 17:31 3s main
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May 23, 2024 17:31 3s
bump version for release 0.3.0b1 docs #7: Commit 41bf1f4 pushed by alinelena
May 4, 2024 10:04 2s main
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May 4, 2024 10:04 2s
Add logo (#109) docs #6: Commit 0d29ca8 pushed by alinelena
April 10, 2024 16:35 3s main
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April 10, 2024 16:35 3s
bump version for release 0.2.0b4 docs #5: Commit e58aa92 pushed by alinelena
April 10, 2024 09:29 3s main
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April 10, 2024 09:29 3s
bump version for release 0.1.0b5 docs #4: Commit b579947 pushed by alinelena
April 3, 2024 10:59 3s main
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April 3, 2024 10:59 3s
updated README to add features (#71) docs #3: Commit 220d7d2 pushed by alinelena
March 15, 2024 12:22 2m 41s main
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March 15, 2024 12:22 2m 41s
bump version for release 0.1.0b2 docs #2: Commit 93fd190 pushed by alinelena
March 13, 2024 19:59 2m 32s main
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March 13, 2024 19:59 2m 32s
Reduce maxline length to match black docs #1: Commit 10c0c19 pushed by alinelena
March 5, 2024 11:35 2m 34s main
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March 5, 2024 11:35 2m 34s