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19a5de1be6
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silence compiler warning
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2024-02-06 15:11:31 -05:00 |
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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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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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819ab9f2ff
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portability improvements for Solaris/OpenIndiana
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2023-01-19 17:36:02 -05:00 |
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3e9bb99daa
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Merge branch 'develop' into collected-small-changes to resolve merge conflicts
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2022-12-19 12:42:09 -05:00 |
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b6c7d24b6d
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do not accept kspace style accuracy values > 1.0, improve error message
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2022-12-17 21:35:44 -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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cd5d41868f
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remove debug statements
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2022-11-09 09:54:04 -07:00 |
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e16aed28b6
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debug
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2022-11-09 09:20:19 -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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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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8af384243f
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support for more caller options in Grid2d/3d
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2022-11-02 15:01:58 -06:00 |
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7346aee4ad
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logic for all callers to use new Grid3d/Grid2d
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2022-11-02 11:46:26 -06:00 |
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d75fd564a1
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update grid2d to match grid3d
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2022-11-01 16:11:14 -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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5824534ac6
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use symbolic constants Comm::BRICK / Comm::TILED for Comm::style
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2022-10-27 07:03:25 -04:00 |
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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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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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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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e2352bc65e
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grid class name changes
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2022-07-18 17:24:40 -06:00 |
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39b316729b
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use auto type when assigning from cast or using new
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2022-04-10 18:16:36 -04:00 |
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d750ef4890
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simplify
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2022-02-10 20:39:36 -05:00 |
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e94854d54f
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always initialize arrays with extra grid points for non-periodic to support switching with change_box
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2022-02-10 15:57:41 -05:00 |
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9b1a267d85
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fix another memory grid deallocation bug. delete before number of levels changes
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2022-02-10 15:32:07 -05:00 |
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ab1e68eb42
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fix memory access bug with changing box volume/grid
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2022-02-10 14:41:25 -05:00 |
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1c8f427e8a
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detect when MSM::setup() is called before proper initialization and error out
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2022-01-18 09:09:19 -05:00 |
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29b5c2659c
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source code formatting
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2022-01-18 09:04:04 -05:00 |
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752552e0f8
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remove duplicate code
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2022-01-18 06:39:20 -05:00 |
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a02e11040d
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whitespace
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2022-01-18 06:34:57 -05:00 |
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f0f4a8e6dc
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plug some memory leaks in MSM kspace style(s)
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2022-01-18 06:01:32 -05:00 |
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3d34ee5087
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Merge branch 'master' into fix-ttm-grid
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2021-08-24 11:34:27 -06:00 |
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4e715da2f3
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Merge branch 'grid-adjust' of github.com:lammps/lammps into grid-adjust
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2021-08-23 14:57:12 -06:00 |
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d8f0cec031
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updates/bug-fixes to parallel fix ttm/grid
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2021-08-20 16:57:20 -06:00 |
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29fe006e46
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fix issue in non-perioidic msm.cpp to allow it to work with any grid partitioning
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2021-08-20 12:43:47 -06:00 |
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d4de26f6ef
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fix whitespace issues
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2021-08-19 17:28:48 -04:00 |
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2119b59d97
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code documentation tweaks
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2021-08-18 15:49:23 -06:00 |
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1c5bdadcfb
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small alteration to code that assigns grid pts to procs
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2021-08-18 15:43:54 -06:00 |
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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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d8291eea7b
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Merge branch 'master' into prepare-clang-format
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
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2021-05-11 21:49:48 -04:00 |
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d1941392d3
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disable clang-format for all existing .cpp files (for now)
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2021-05-05 23:53:38 -04:00 |
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22e93468d6
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simplify code by appling varargs messages and warnings
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2021-05-05 18:19:12 -04:00 |
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f92e07185b
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initialize arrays for per-level gridcomm buffers to NULL
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2021-02-09 13:21:04 -05:00 |
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56ae498814
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reduce memory leakage in kspace style msm
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2021-02-08 17:27:54 -05:00 |
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e2e6639013
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add typecast to avoid (unlikely but possible) integer overflows.
this will silence a lot of static code analysis warnings
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2021-02-02 17:27:04 -05:00 |
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adf74b3a22
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use https://lammps.sandia.gov based URLs consistently
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2020-10-21 16:45:30 -04:00 |
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cebf6d33ba
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Merge pull request #2358 from eagunn/iss2345
Replace instances of NULL with nullptr
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2020-09-15 17:41:24 -04:00 |
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