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update change log
Build Checks #96: Commit 6b64d56 pushed by shinkle-lanl
February 7, 2025 14:56 1m 28s new_langevin
February 7, 2025 14:56 1m 28s
update change log
Build Checks #95: Commit 292f672 pushed by shinkle-lanl
February 7, 2025 14:52 1m 25s kdtree_fix
February 7, 2025 14:52 1m 25s
update change log
Build Checks #94: Commit 6ff3d12 pushed by shinkle-lanl
February 7, 2025 14:47 1m 30s by_type_node
February 7, 2025 14:47 1m 30s
div by 2 on wrong side
Build Checks #93: Commit 367b31d pushed by shinkle-lanl
February 7, 2025 01:36 1m 28s kdtree_fix
February 7, 2025 01:36 1m 28s
Add atomization-consistent training and other features/fixes (#123)
Build Checks #91: Commit 78059c7 pushed by shinkle-lanl
February 7, 2025 00:22 1m 27s development
February 7, 2025 00:22 1m 27s
add species indexing node
Build Checks #90: Commit c59f2e1 pushed by shinkle-lanl
February 6, 2025 22:58 1m 31s by_type_node
February 6, 2025 22:58 1m 31s
new Langevin MD integrator implemented
Build Checks #89: Commit 71faf70 pushed by shinkle-lanl
February 6, 2025 22:40 1m 31s new_langevin
February 6, 2025 22:40 1m 31s
implement new Langevin MD integrator
Build Checks #88: Commit 5de4a68 pushed by shinkle-lanl
February 6, 2025 22:23 1m 30s improved_langevin_integrator
February 6, 2025 22:23 1m 30s
split by species working
Build Checks #87: Commit 6eb79a0 pushed by shinkle-lanl
February 6, 2025 22:22 1m 26s improved_langevin_integrator
February 6, 2025 22:22 1m 26s
split by species working
Build Checks #86: Commit 6eb79a0 pushed by shinkle-lanl
January 29, 2025 18:27 1m 35s plot_by_type
January 29, 2025 18:27 1m 35s
new Langevin integrator
Build Checks #85: Commit 6b8ba8f pushed by shinkle-lanl
December 3, 2024 18:23 1m 27s md
md
December 3, 2024 18:23 1m 27s
Update test_speed_env.py (#120)
Build Checks #84: Commit 6dd3a91 pushed by shinkle-lanl
November 6, 2024 22:20 1m 28s development
November 6, 2024 22:20 1m 28s
suggested change example
Build Checks #83: Commit 0282ba0 pushed by shinkle-lanl
October 29, 2024 20:34 1m 29s add_help_to_examples
October 29, 2024 20:34 1m 29s
Fix some issues with the speed tests in custom kernels (#117)
Build Checks #82: Commit a0b5ca7 pushed by shinkle-lanl
October 29, 2024 20:18 1m 29s development
October 29, 2024 20:18 1m 29s
add shape checking in ExternalNeighbors layer
Build Checks #81: Commit 3f9e88f pushed by shinkle-lanl
October 24, 2024 16:54 1m 33s stress_node
October 24, 2024 16:54 1m 33s
remove debugging print statements
Build Checks #80: Commit d838525 pushed by shinkle-lanl
October 24, 2024 15:27 1m 29s stress_node
October 24, 2024 15:27 1m 29s
update example due to new data dimensions
Build Checks #79: Commit 884f39d pushed by shinkle-lanl
October 24, 2024 15:24 1m 31s stress_node
October 24, 2024 15:24 1m 31s
remove debugging print statements
Build Checks #78: Commit d838525 pushed by shinkle-lanl
October 24, 2024 00:03 1m 27s stress_node
October 24, 2024 00:03 1m 27s
better implementation
Build Checks #77: Commit 6302250 pushed by shinkle-lanl
October 24, 2024 00:01 1m 25s stress_node
October 24, 2024 00:01 1m 25s
add missing import (#116)
Build Checks #76: Commit 862ed0f pushed by shinkle-lanl
October 22, 2024 17:56 1m 26s development
October 22, 2024 17:56 1m 26s
add missing import
Build Checks #75: Commit 1da7388 pushed by shinkle-lanl
October 22, 2024 17:54 1m 24s md_driver
October 22, 2024 17:54 1m 24s
change method of custom MD driver for handling units (#115)
Build Checks #74: Commit 6c6d9d1 pushed by shinkle-lanl
October 22, 2024 17:50 1m 36s development
October 22, 2024 17:50 1m 36s
fix defaults
Build Checks #73: Commit 77c8cfb pushed by shinkle-lanl
October 22, 2024 17:46 1m 38s md_driver
October 22, 2024 17:46 1m 38s
new example (#108)
Build Checks #72: Commit 497cf15 pushed by shinkle-lanl
October 22, 2024 17:45 1m 27s development
October 22, 2024 17:45 1m 27s