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Update README.md CI #100: Commit fc8f2cb pushed by kabylda
July 17, 2025 03:22 4m 39s main
main
July 17, 2025 03:22 4m 39s
note on lr-cutoff CI #99: Commit f8caa9b pushed by kabylda
July 3, 2025 15:14 4m 45s main
main
July 3, 2025 15:14 4m 45s
note on uv CI #98: Commit 1235346 pushed by kabylda
July 3, 2025 14:30 4m 43s main
main
July 3, 2025 14:30 4m 43s
Describe dimer binding energy calculations in readme CI #97: Commit a586c21 pushed by kabylda
July 3, 2025 14:15 4m 50s main
main
July 3, 2025 14:15 4m 50s
Add files via upload CI #96: Commit 94bb835 pushed by kabylda
July 3, 2025 14:04 5m 10s main
main
July 3, 2025 14:04 5m 10s
adjust tolerance in test CI #95: Commit 94313f3 pushed by kabylda
July 3, 2025 13:13 4m 53s main
main
July 3, 2025 13:13 4m 53s
modify tolerance in ase test CI #94: Commit 8b74925 pushed by kabylda
July 3, 2025 13:07 4m 43s main
main
July 3, 2025 13:07 4m 43s
theory_mask shape fix CI #93: Commit b8c45e0 pushed by kabylda
July 3, 2025 12:53 4m 39s main
main
July 3, 2025 12:53 4m 39s
k_grid bugfix CI #92: Commit 260b012 pushed by kabylda
July 3, 2025 11:52 2m 25s main
main
July 3, 2025 11:52 2m 25s
box shape bugfix CI #91: Commit 7c87d2a pushed by kabylda
July 3, 2025 11:41 2m 10s main
main
July 3, 2025 11:41 2m 10s
glp path update CI #90: Commit 12e6962 pushed by kabylda
July 3, 2025 11:27 1m 45s main
main
July 3, 2025 11:27 1m 45s
pass theory_mask, tile params to match multi theory level shapes CI #89: Commit 9a3e614 pushed by kabylda
July 3, 2025 11:05 1m 49s main
main
July 3, 2025 11:05 1m 49s
correct glp path, supress Syntax and Deprecation Warnings, bugfix CI #88: Commit efe4488 pushed by kabylda
July 3, 2025 10:59 30s main
main
July 3, 2025 10:59 30s
add jax-pme to pyproject and bugfix CI #87: Commit 184665b pushed by kabylda
July 3, 2025 09:57 1m 45s main
main
July 3, 2025 09:57 1m 45s
Merge fbruenig branch 'so3lr/pme' CI #86: Commit 5e3a38a pushed by kabylda
July 3, 2025 09:39 1m 32s main
main
July 3, 2025 09:39 1m 32s
make theory_mask, residue_segments, and residue_charge optional in Graph CI #85: Commit 7efc1eb pushed by kabylda
July 2, 2025 16:50 4m 58s main
main
July 2, 2025 16:50 4m 58s
bug fix CI #84: Commit 8d0bc05 pushed by kabylda
July 2, 2025 16:35 3m 28s main
main
July 2, 2025 16:35 3m 28s
minor fixes CI #83: Commit 451bbd0 pushed by kabylda
July 2, 2025 16:21 2m 55s main
main
July 2, 2025 16:21 2m 55s
change of params shape fix CI #82: Commit d0a6ab1 pushed by kabylda
June 13, 2025 20:04 5m 16s main
main
June 13, 2025 20:04 5m 16s
Merge pull request #22 from fbruenig/main CI #81: Commit d04aab5 pushed by kabylda
June 4, 2025 22:42 4m 58s main
main
June 4, 2025 22:42 4m 58s
output_atom_indices option and restart bug fix CI #80: Pull request #22 opened by fbruenig
May 30, 2025 13:13 4m 53s fbruenig:main
fbruenig:main
May 30, 2025 13:13 4m 53s
Add files via upload CI #79: Commit 210c835 pushed by kabylda
May 26, 2025 10:02 4m 52s main
main
May 26, 2025 10:02 4m 52s
nve readme update, eval bugfix CI #78: Commit 6f22d15 pushed by kabylda
May 6, 2025 13:11 4m 52s main
main
May 6, 2025 13:11 4m 52s
Merge pull request #21 from fbruenig/main CI #77: Commit 210d9bf pushed by kabylda
May 5, 2025 19:37 7m 23s main
main
May 5, 2025 19:37 7m 23s
fix dispersion_energy_cutoff_lr_damping naming in ase modules CI #76: Pull request #21 opened by fbruenig
May 5, 2025 09:02 4m 56s fbruenig:main
fbruenig:main
May 5, 2025 09:02 4m 56s