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8786819993
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use FFT_SCALAR more consistently to perhaps support single precision FFT some time
also, use "override" instead of virtual and add a forgotten virtual
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2023-01-24 22:32:40 -05:00 |
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dec3afe595
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make synchronization for timers optional. only enable with "timer sync"
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2023-01-24 21:15:37 -05:00 |
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617d70dd1c
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Replaced MPI_Wtime() with platform::walltime(), put the low-level timing breakdown inside #if DEBUG_AMOEBA
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2023-01-20 14:19:16 -06:00 |
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212da7f109
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Merge branch 'develop' into amoeba-gpu
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2023-01-14 18:36:26 -06:00 |
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334643b300
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avoid sprintf()
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2023-01-07 16:13:27 -05:00 |
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cebb97e790
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Merge branch 'develop' after the distributed-grids PR was merged into amoeba-gpu, noted some API changes in reverse_comm
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2022-12-24 00:41:07 -06:00 |
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281e67d6fb
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Merge branch 'develop' into distributed-grids
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2022-12-14 18:12:10 -05:00 |
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8af77c690c
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Merge branch 'develop' into amoeba-gpu
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2022-12-14 13:16:41 -06:00 |
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01a54723d7
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more iwyu updates
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2022-12-11 23:40:31 -05:00 |
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cc18528ea1
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more bookkeeping changes
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2022-11-30 10:56:54 -07:00 |
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90b54300e9
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remove whitespace
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2022-11-07 16:18:40 -07:00 |
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3390d51c48
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bug fix in amoeba_convolution
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2022-11-07 10:40:45 -07:00 |
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b4118c51cc
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merged in current master
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2022-11-04 08:22:18 -06:00 |
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4c29457351
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more classes use Grid3d
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2022-11-01 15:53:39 -06:00 |
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2132b1d904
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update developer reference text
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2022-10-24 11:08:26 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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2ef6a59c0a
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Merge branch 'develop' into amoeba-gpu
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2022-10-01 00:38:24 -05:00 |
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d67eed7e43
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enable triclinic for fix ave/grid
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2022-08-29 16:46:26 -06:00 |
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f4a90c62c0
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First attempt to port the forward FFT in the k-space induce term to the GPU, not working yet
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2022-08-23 15:42:05 -05:00 |
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58800b5191
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enable relancing to work with distributed grids
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2022-08-11 13:28:50 -06:00 |
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0e1463fdaa
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change AMOEBA grids to Grid3d from GridComm
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2022-08-11 10:32:09 -06:00 |
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6579728622
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apply include file conventions
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2022-07-03 06:54:22 -04:00 |
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886d95c32d
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clang-tidy fixes
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2022-07-02 23:16:13 -04:00 |
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a8eb248b1e
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reduce compiler warnings. avoid uninitialized data access. consolidate labeling
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2022-05-28 09:19:35 -04:00 |
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ed0f53cfde
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add citations to doc page, address more NOTE comments
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2022-05-24 16:44:06 -06:00 |
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15eebd43b9
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address some NOTE comments
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2022-05-18 15:47:43 -06:00 |
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df74043d03
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correct homepage URL
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2022-04-18 21:23:11 -04:00 |
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89195363d6
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whitespace
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2022-04-18 21:20:13 -04:00 |
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d3b70c7d5d
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more changes to sync with new templated GridComm
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2022-04-18 17:52:18 -06:00 |
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9c095e8d76
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new AMOEBA package
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2021-08-25 16:29:22 -06:00 |
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