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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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ad855ad7ea
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remove unused constants
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2024-02-05 20:26:23 -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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62cf534de0
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whitespace
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2024-01-10 20:07:01 -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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020ef70300
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avoid double free on B array
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2023-10-24 23:18:24 -04:00 |
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d1980031ef
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remove more duplicate semicolons
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2023-06-25 06:02:17 -04:00 |
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8a738fabcb
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must initialized triclinic variable in constructor
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2023-06-14 12:12:18 -04:00 |
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3b37c92b87
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consistently print error when box has changed to triclinic without redefining kspace style
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2023-06-14 10:06:01 -04:00 |
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27da716852
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getting out of the insurance business :-)
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2023-01-23 16:45:41 -05:00 |
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0f23659523
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fix bug detected by coverity scan
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2022-12-20 06:34:07 -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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87a0833edd
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whitespace fixes
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2022-12-01 10:12:14 -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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ec0b38f7b7
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bug fix in pppm/disp
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2022-11-08 18:08:22 -07:00 |
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df9dc387ac
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debug
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2022-11-08 17:26:29 -07:00 |
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65ce9aa791
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KSpace bug fixes
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2022-11-08 11:22:25 -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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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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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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a0d859933c
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Update from master
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2022-10-12 09:49:55 -06:00 |
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01c022f83d
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Fix variable definition
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2022-10-11 10:10:27 -06:00 |
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877f4e7e29
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Fix issue with KSpace slab correction energy with non-neutral systems
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2022-10-11 09:43:18 -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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d4ea5ca49e
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more clang-tidy fixes after re-running it with added settings
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2022-05-14 07:18:05 -04:00 |
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74f2b67b1a
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no if statement required before delete[]
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2022-04-10 19:55:24 -04:00 |
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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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71f8e11d70
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join multi-line strings
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2022-04-09 07:45:01 -04:00 |
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85433e8bd1
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use true/false instead of 1/0 detected and changed by clang-tidy
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2021-10-20 12:41:02 -04:00 |
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8b36061db4
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replace MPI_Wtime() with platform::walltime()
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2021-10-05 22:53:39 -04:00 |
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7d92d665e8
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use explicit scoping when virtual dispatch is not available.
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2021-09-15 16:08:17 -04:00 |
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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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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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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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e9e0bb71b6
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Use varargs version of Error:all() and Error::one() where applicable
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2021-04-25 21:30:51 -04:00 |
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