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clarify language on units for custom MD algorithms, remove default un… Auto build HIPPYNN docs and publish on GitHub Pages #71: Commit 4522014 pushed by shinkle-lanl
October 18, 2024 20:54 1m 26s development
development
October 18, 2024 20:54 1m 26s
fix bug with saving batched MD results (#109) Auto build HIPPYNN docs and publish on GitHub Pages #70: Commit 10bded4 pushed by shinkle-lanl
October 17, 2024 19:04 1m 26s development
development
October 17, 2024 19:04 1m 26s
fix doc page Auto build HIPPYNN docs and publish on GitHub Pages #69: Commit c330ddf pushed by lubbersnick
October 9, 2024 18:49 1m 25s development
development
October 9, 2024 18:49 1m 25s
Custom kernel improvements (#107) Auto build HIPPYNN docs and publish on GitHub Pages #68: Commit 36b7350 pushed by lubbersnick
September 27, 2024 22:28 1m 21s development
development
September 27, 2024 22:28 1m 21s
add back hyperopt example to main index Auto build HIPPYNN docs and publish on GitHub Pages #67: Commit c1c084c pushed by lubbersnick
September 20, 2024 21:22 1m 26s development
development
September 20, 2024 21:22 1m 26s
Fix documentation workflow (#106) Auto build HIPPYNN docs and publish on GitHub Pages #66: Commit 4d0f534 pushed by lubbersnick
September 20, 2024 21:15 1m 28s development
development
September 20, 2024 21:15 1m 28s
Many improvements to documentation, some workflow improvements (#105) Auto build HIPPYNN docs and publish on GitHub Pages #65: Commit ad3680d pushed by lubbersnick
September 20, 2024 21:07 1m 3s development
development
September 20, 2024 21:07 1m 3s
Add the documentation and examples for hyperparameter tuning (#103) Auto build HIPPYNN docs and publish on GitHub Pages #64: Commit ddf5ca6 pushed by lubbersnick
September 20, 2024 20:29 1m 41s development
development
September 20, 2024 20:29 1m 41s
Bugfixes to custom kernels, doc updates, changelog updates (#102) Auto build HIPPYNN docs and publish on GitHub Pages #63: Commit 144c160 pushed by lubbersnick
September 13, 2024 20:24 1m 26s development
development
September 13, 2024 20:24 1m 26s
Many documentation updates, small tweaks to database interface. (#100) Auto build HIPPYNN docs and publish on GitHub Pages #62: Commit 110b831 pushed by lubbersnick
September 9, 2024 23:48 1m 59s development
development
September 9, 2024 23:48 1m 59s
change setup to include pyproject.toml file (#97) Auto build HIPPYNN docs and publish on GitHub Pages #61: Commit be79f3a pushed by lubbersnick
September 9, 2024 17:13 1m 47s development
development
September 9, 2024 17:13 1m 47s
Add coarse-graining example (#98) Auto build HIPPYNN docs and publish on GitHub Pages #60: Commit 10a9055 pushed by lubbersnick
September 9, 2024 17:05 1m 36s development
development
September 9, 2024 17:05 1m 36s
Add pytorch lightning trainer (#99) Auto build HIPPYNN docs and publish on GitHub Pages #59: Commit 0004728 pushed by lubbersnick
September 7, 2024 00:51 1m 35s development
development
September 7, 2024 00:51 1m 35s
Check cuda device capability for triton kernel initialization. (#93) Auto build HIPPYNN docs and publish on GitHub Pages #58: Commit 4e84c36 pushed by lubbersnick
September 3, 2024 15:35 1m 28s development
development
September 3, 2024 15:35 1m 28s
Add units to lammps interface and fix kokkos+cpu bug. (#90) Auto build HIPPYNN docs and publish on GitHub Pages #57: Commit 39b7bb2 pushed by lubbersnick
August 28, 2024 23:09 1m 42s development
development
August 28, 2024 23:09 1m 42s
switch code for bond calculation (#92) Auto build HIPPYNN docs and publish on GitHub Pages #56: Commit e2c24a2 pushed by lubbersnick
August 23, 2024 23:18 1m 24s development
development
August 23, 2024 23:18 1m 24s
update MLIAP to better find unavailble devices. (#91) Auto build HIPPYNN docs and publish on GitHub Pages #55: Commit ccab78d pushed by lubbersnick
August 21, 2024 23:33 1m 30s development
development
August 21, 2024 23:33 1m 30s
fix optimizer initialization routine, it was badly clever Auto build HIPPYNN docs and publish on GitHub Pages #54: Commit c027a10 pushed by lubbersnick
August 14, 2024 19:09 1m 25s development
development
August 14, 2024 19:09 1m 25s
update examples, fix glitch with pyanidirectoryDB Auto build HIPPYNN docs and publish on GitHub Pages #53: Commit dcd78d6 pushed by lubbersnick
August 14, 2024 18:48 1m 26s development
development
August 14, 2024 18:48 1m 26s
Add database features (#86) Auto build HIPPYNN docs and publish on GitHub Pages #52: Commit 9a1a662 pushed by lubbersnick
August 14, 2024 18:25 1m 24s development
development
August 14, 2024 18:25 1m 24s
Fix bug with custom kernels not working on non-default device. (#87) Auto build HIPPYNN docs and publish on GitHub Pages #51: Commit cf16e9f pushed by lubbersnick
August 14, 2024 18:08 1m 27s development
development
August 14, 2024 18:08 1m 27s
Update Optimizer (#82) Auto build HIPPYNN docs and publish on GitHub Pages #50: Commit d565b18 pushed by lubbersnick
August 12, 2024 16:45 1m 33s development
development
August 12, 2024 16:45 1m 33s
improve restarter error compatibility, fix bug with RDF computation s… Auto build HIPPYNN docs and publish on GitHub Pages #49: Commit 013f7eb pushed by lubbersnick
August 5, 2024 18:33 1m 56s development
development
August 5, 2024 18:33 1m 56s
[WIP] Add custom triton kernels (#84) Auto build HIPPYNN docs and publish on GitHub Pages #48: Commit 14c8205 pushed by lubbersnick
July 29, 2024 19:21 1m 39s development
development
July 29, 2024 19:21 1m 39s
Added variable to limit pytorch memory in lammps interface (#85) Auto build HIPPYNN docs and publish on GitHub Pages #47: Commit c07f09e pushed by bnebgen-LANL
July 23, 2024 18:25 1m 34s development
development
July 23, 2024 18:25 1m 34s