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db4e69bf38
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further simplification by making STUBS an interface and alias to MPI::MPI_CXX
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2022-01-28 01:00:37 -05:00 |
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cd8b674f4b
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expand path to include LAMMPS shared lib
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2022-01-27 17:46:18 -05:00 |
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0bf941219f
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silence compiler warnings
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2022-01-27 17:21:50 -05:00 |
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d391ae845b
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convert static class members with git info to functions to simplify auto-export on Windows
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2022-01-27 17:20:05 -05:00 |
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62ff23abe7
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simplify building serial executables by incorporating the STUBS/mpi.o object in LAMMPS library
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2022-01-27 15:59:48 -05:00 |
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d51017ff50
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Merge pull request #3095 from akohlmey/collect-small-changes
Collected small changes and fixes
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2022-01-26 12:04:44 -05:00 |
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71a373cadb
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reshuffle Body struct members and add dummy for better alignment
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2022-01-26 10:46:19 -05:00 |
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8ca1004c03
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cosmetic. align with clang-format
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2022-01-26 10:45:46 -05:00 |
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120662c438
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correct citation info
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2022-01-26 10:45:30 -05:00 |
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cdd23ac9c2
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Merge pull request #3097 from stanmoore1/dump_balance
Add option to balance dump file output
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2022-01-25 15:53:38 -05:00 |
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75a00f4d11
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minor cleanup
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2022-01-25 08:52:53 -07:00 |
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64dbce26dc
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Cannot shrink buf
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2022-01-25 08:45:13 -07:00 |
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35dbabd471
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alternate fix for tag caching issue in INTEL package
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2022-01-25 07:39:37 -05:00 |
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0b693e729d
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Whitespace
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2022-01-24 17:33:36 -07:00 |
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c914fc6baf
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Small doc tweak
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2022-01-24 16:33:11 -07:00 |
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67af170929
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Sorting is not required for balancing
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2022-01-24 16:22:55 -07:00 |
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cb9ba8c0a3
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Simplify code
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2022-01-24 16:05:27 -07:00 |
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a80f7ed11f
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Add error message to header file
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2022-01-24 15:32:20 -07:00 |
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aeb25b5a37
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Tweak docs
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2022-01-24 15:28:40 -07:00 |
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1d60e4c463
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Add docs
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2022-01-24 15:16:49 -07:00 |
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16810b84eb
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Add option to balance dump file output
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2022-01-24 14:35:27 -07:00 |
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f9a2006d73
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reorder includes
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2022-01-24 08:44:29 -05:00 |
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88dadd0fff
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consistently refer to INTEL package in upper case
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2022-01-23 21:12:22 -05:00 |
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cd16556256
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add missing break statements.
@GenieTim this bug may have tainted your results. you would always get the energy value for any of the dx, dy, dz keywords
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2022-01-22 17:13:54 -05:00 |
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81e7583a8d
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initialize pointers, use provided constant, reorder include statements
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2022-01-22 17:07:12 -05:00 |
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f814dc5ff9
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add checks after reading data
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2022-01-22 17:06:28 -05:00 |
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458ae4e38a
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initialize pointers, remove unused class member
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2022-01-22 17:06:13 -05:00 |
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d854e58d00
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add sanity check
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2022-01-22 16:51:07 -05:00 |
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c93fba5e2d
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make certain that offset is always initialized
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2022-01-22 16:45:38 -05:00 |
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900ff39403
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make consistent
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2022-01-22 16:33:44 -05:00 |
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6506be9409
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update programming style
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2022-01-21 15:56:58 -05:00 |
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57def1a2d5
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output reformatting and refactoring
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2022-01-21 11:26:55 -05:00 |
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75d20c40ed
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remove threebody tag caching altogether since it is not reliable
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2022-01-21 11:26:26 -05:00 |
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3311b1344c
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consolidate pair-wise vs pairwise spelling
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2022-01-21 10:48:35 -05:00 |
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3a6bd2e698
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update comment about pair_write restrictions
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2022-01-21 10:47:49 -05:00 |
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67dec40afa
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make certain pointers are initialized
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2022-01-21 06:55:20 -05:00 |
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9c8431bf87
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correct calls to memset()
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2022-01-21 06:55:06 -05:00 |
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e73158bd7e
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whitespace/formatting
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2022-01-20 16:56:12 -05:00 |
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4104353d7a
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plug memory leak
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2022-01-20 16:55:59 -05:00 |
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49dca516ea
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simplify API of Force::store_style()
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2022-01-20 16:48:44 -05:00 |
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dbe267cb88
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join lines, whitespace
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2022-01-20 16:04:26 -05:00 |
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0b24c5b498
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workaround for segfaults due to NULL pointer dereference with hybrid styles
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2022-01-20 16:04:07 -05:00 |
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a0e2a617e0
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Merge pull request #3092 from stanmoore1/kk_makefiles
Small tweaks to Kokkos Files
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2022-01-19 16:06:42 -05:00 |
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b7dc1d9dd6
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Merge pull request #3091 from akohlmey/more-parsing-refactor
More file parsing refactoring
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2022-01-19 12:41:13 -05:00 |
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6e8d9cb532
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Port bugfix in Kokkos
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2022-01-19 10:27:02 -07:00 |
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0a8cbcef2b
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Add -DNDEBUG to Kokkos Makefiles
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2022-01-19 10:19:50 -07:00 |
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0a89e5bd24
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Remove non-ASCII chars
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2022-01-19 10:18:25 -07:00 |
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4f0cde40fd
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White no longer exists
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2022-01-19 10:16:53 -07:00 |
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4cd5c40374
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Merge pull request #3089 from akohlmey/collected-small-changes
Collected small changes and fixes
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2022-01-19 11:44:33 -05:00 |
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7573e60a1e
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2022-01-19 10:21:12 -05:00 |
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