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482a6632e9
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consolidate kspace communication enumerators in kspace.h
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2024-10-10 05:35:01 -04:00 |
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4b0c1f2605
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Merge branch 'develop' of github.com:lammps/lammps into issue3775_fft_kokkos
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2024-02-06 12:09:55 -07:00 |
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ad855ad7ea
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remove unused constants
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2024-02-05 20:26:23 -05:00 |
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de7c459b2f
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consolidate FFT settings in headers
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2024-01-31 13:28:41 -05:00 |
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a6261d75b9
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some more define to static constexpr conversions
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2024-01-24 21:14:19 -05:00 |
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1f863cd4a3
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simplify since constexpr should conver to FFT_SCALAR at compile time
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2024-01-21 15:59:09 -05:00 |
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12422ff510
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replace defines with static constexpr declarations
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2024-01-21 15:53:35 -05:00 |
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768163865e
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avoid 32-bit integer overflow for PPPM grid
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2024-01-10 19:54:29 -05:00 |
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5a455c5e3a
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remove redundant calls to fmt::format() from calls to error->one/all() and utils::logmesg()
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2023-09-26 23:56:51 -04:00 |
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f502499e44
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better separated buffer packing methods
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2023-01-03 17:14:18 +10:00 |
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8610fc6d33
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simplify intel versions of electrode fixes
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2023-01-03 12:32:12 +10:00 |
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8248b5bc18
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Merge branch 'develop' of github.com:lammps/lammps into distributed-grids
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2022-12-13 13:00:31 -07:00 |
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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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41f97430e1
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fix leaks for ewald and pppm/intel
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2022-11-23 15:20:11 +10:00 |
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f5261b449a
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Remove setup from BoundaryCorrection
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2022-11-14 10:02:36 +01:00 |
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64c9f7ffed
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Merge branch 'develop' into electrode
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2022-11-08 09:46:56 +01:00 |
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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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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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0654d6c8d6
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Refactor A-matrix in INTEL (and base package)
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2022-10-21 08:24:19 +00:00 |
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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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a0d859933c
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Update from master
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2022-10-12 09:49:55 -06:00 |
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1e6321a1e9
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Update INTEL package
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2022-10-11 11:17:03 -06:00 |
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e2f2663df2
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more changes from GridComm to Grid3d in packages
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2022-08-17 10:08:34 -06:00 |
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66b8ab9c6e
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Revamped examples
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2022-04-26 09:42:45 +02:00 |
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c086664c2a
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Per-atom vector usage
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2022-04-20 16:23:44 +02:00 |
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75d87383e2
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one more OpenMP fix
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2022-04-09 09:10:45 -04:00 |
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a04c0077b9
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silence some more compiler warnings and try to resolve issues with old compilers
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2022-04-09 09:04:17 -04:00 |
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ce62da1cca
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compatibility with legacy OpenMP implementations
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2022-04-09 07:53:17 -04:00 |
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65be564cd6
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Review akohlmey
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2022-04-05 15:35:04 +00:00 |
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6e74d0a09a
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LAMMPS GridComm patch
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2022-02-25 08:13:16 +00:00 |
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efa5db4c58
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ELECTRODE package
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2022-02-10 11:33:38 +01:00 |
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