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Refactor BoxForceReciprocalGPU to eliminate roundoff on summing parti… C/C++ CI #1707: Commit 5601d69 pushed by LSchwiebert
August 25, 2024 18:32 3m 35s gpu-optimization
gpu-optimization
August 25, 2024 18:32 3m 35s
Update warning message for duplicated dihedrals C/C++ CI #1706: Commit a3a7c1c pushed by LSchwiebert
August 24, 2024 21:31 3m 21s duplicate-dihedral
duplicate-dihedral
August 24, 2024 21:31 3m 21s
Update new warning messages C/C++ CI #1705: Commit 0dd9bcd pushed by LSchwiebert
August 24, 2024 01:38 3m 24s duplicate-dihedral
duplicate-dihedral
August 24, 2024 01:38 3m 24s
Enhance patch to print filename in warnings C/C++ CI #1704: Commit 34c80ab pushed by LSchwiebert
August 23, 2024 23:35 3m 24s duplicate-dihedral
duplicate-dihedral
August 23, 2024 23:35 3m 24s
Also check for duplicate Bonds, Angles, etc. and minor code cleanup C/C++ CI #1703: Commit 61d0398 pushed by LSchwiebert
August 21, 2024 17:44 3m 20s duplicate-dihedral
duplicate-dihedral
August 21, 2024 17:44 3m 20s
Improve variable naming for VirialRecipGPU function C/C++ CI #1702: Commit 0fc01d7 pushed by LSchwiebert
August 19, 2024 14:12 3m 25s gpu-optimization
gpu-optimization
August 19, 2024 14:12 3m 25s
Only copy particleCharge array once and minor code cleanup C/C++ CI #1701: Commit 5ff5ab6 pushed by LSchwiebert
August 13, 2024 19:41 3m 25s gpu-optimization
gpu-optimization
August 13, 2024 19:41 3m 25s
Change thread and block size calculations C/C++ CI #1700: Commit 5afbe8f pushed by LSchwiebert
August 12, 2024 02:37 3m 27s gpu-optimization
gpu-optimization
August 12, 2024 02:37 3m 27s
Allocate gpu_particleKind and gpu_particleMol only once C/C++ CI #1699: Commit e2af916 pushed by LSchwiebert
August 12, 2024 02:04 3m 21s gpu-optimization
gpu-optimization
August 12, 2024 02:04 3m 21s
Reduce memory allocations for VirialReciprocalGPU C/C++ CI #1698: Commit 381b4e3 pushed by LSchwiebert
August 9, 2024 14:38 3m 21s gpu-optimization
gpu-optimization
August 9, 2024 14:38 3m 21s
Generate error instead of warning if duplicates have different parame… C/C++ CI #1697: Commit 02bfcf6 pushed by LSchwiebert
August 8, 2024 19:45 3m 30s duplicate-dihedral
duplicate-dihedral
August 8, 2024 19:45 3m 30s
Remove duplicate dihedrals with the same periodicity and issue a warning C/C++ CI #1696: Commit 6b2a8ea pushed by LSchwiebert
August 7, 2024 16:02 5m 35s duplicate-dihedral
duplicate-dihedral
August 7, 2024 16:02 5m 35s
Fix grammar in comment C/C++ CI #1695: Commit 124ff98 pushed by LSchwiebert
August 7, 2024 15:20 3m 24s duplicate-dihedral
duplicate-dihedral
August 7, 2024 15:20 3m 24s
Merge pull request #521 from GOMC-WSU/MP-Flags C/C++ CI #1694: Commit ff3f67a pushed by LSchwiebert
August 6, 2024 16:23 3m 27s duplicate-dihedral
duplicate-dihedral
August 6, 2024 16:23 3m 27s
Format per clang-format rules C/C++ CI #1693: Commit 14cfbcd pushed by LSchwiebert
August 5, 2024 01:33 3m 27s gpu-optimization
gpu-optimization
August 5, 2024 01:33 3m 27s
Ali's patch for BlockReduce in BoxForce and BoxInterForce C/C++ CI #1692: Commit ce0f274 pushed by LSchwiebert
August 4, 2024 22:11 3m 17s gpu-optimization
gpu-optimization
August 4, 2024 22:11 3m 17s
Minor comment grammar correction C/C++ CI #1691: Commit d0d1e48 pushed by LSchwiebert
August 4, 2024 21:00 3m 14s gpu-optimization
gpu-optimization
August 4, 2024 21:00 3m 14s
Further cleanup of Block Reduction code C/C++ CI #1690: Commit f7653b7 pushed by LSchwiebert
August 4, 2024 13:16 3m 19s gpu-optimization
gpu-optimization
August 4, 2024 13:16 3m 19s
Reorder BLock Reduction code C/C++ CI #1689: Commit fe543dd pushed by LSchwiebert
August 4, 2024 01:27 3m 21s gpu-optimization
gpu-optimization
August 4, 2024 01:27 3m 21s
Reformatted files via clang-format C/C++ CI #1688: Commit e644a52 pushed by LSchwiebert
July 29, 2024 13:52 3m 16s gpu-optimization
gpu-optimization
July 29, 2024 13:52 3m 16s
Remove particleNoCharge array from BoxForceReciprocalGPU and format r… C/C++ CI #1687: Commit 0a19327 pushed by LSchwiebert
July 28, 2024 18:39 3m 12s gpu-optimization
gpu-optimization
July 28, 2024 18:39 3m 12s
Reallocate energyvector reduction storage when it increases C/C++ CI #1686: Commit 7151453 pushed by LSchwiebert
July 27, 2024 13:38 3m 23s gpu-optimization
gpu-optimization
July 27, 2024 13:38 3m 23s
Don't reallocate LJEn and REn in BoxInterGPU if the previous size is … C/C++ CI #1685: Commit 09ef528 pushed by LSchwiebert
July 25, 2024 14:56 3m 22s gpu-optimization
gpu-optimization
July 25, 2024 14:56 3m 22s
Tweak BoxReciprocalSums settings for slightly better performance C/C++ CI #1684: Commit 44cedc1 pushed by LSchwiebert
July 15, 2024 16:25 3m 21s gpu-optimization
gpu-optimization
July 15, 2024 16:25 3m 21s
Fix calls to Mersenne Twister for CBMC functions C/C++ CI #1683: Commit 3c7b0bb pushed by LSchwiebert
July 12, 2024 12:39 3m 35s mersenne-twister
mersenne-twister
July 12, 2024 12:39 3m 35s