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591d20b00d
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Merge branch 'develop' into quick-regression
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2024-08-31 23:16:27 -04:00 |
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f6d0d91e2b
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make certain local virial storage is initialized
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2024-08-23 00:02:59 -04:00 |
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66d6804d23
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apply clang-format to some pair style headers
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2024-08-22 15:43:55 -04:00 |
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09680a3857
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use MPI_SUM instead of MPI_MAX to work around OpenMPI bug on macOS with Apple CPU
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2024-04-17 01:03:39 -04:00 |
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28620a6631
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propagate changes to other EAM implementations
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2024-04-15 21:04:57 -04:00 |
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3a94e4df2d
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print single warning when some rho[i] exceeded rhomax of the current EAM potential
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2024-04-15 02:50:16 -04:00 |
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f6ce3ae45e
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some more constant cleanups
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2024-02-06 05:13:12 -05:00 |
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bd3e7882e6
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remove unused include and related statements
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2023-06-07 06:25:47 -04:00 |
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f85474c9ec
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fix a typo
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2023-06-06 22:03:33 +08:00 |
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0ef0419a98
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rename function names in opt version
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2023-06-06 21:45:51 +08:00 |
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738a955c40
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fix checkstyle issues
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2023-06-03 22:37:57 +08:00 |
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8c6e2ca000
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rename the opt pair style
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2023-06-03 20:34:42 +08:00 |
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887534fd02
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fix checkstyle
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2023-06-01 21:12:11 +08:00 |
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cc30c4478d
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add optmized verion of ilp_water_2dm
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2023-05-18 21:58:40 +08:00 |
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22a1cf935e
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enable and apply clang-format, remove redundant code, improve error message for EAM potential pair styles
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2023-03-25 06:48:59 -04:00 |
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b30ce3ff32
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next round of IWYU updates
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2022-12-12 01:07:46 -05:00 |
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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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1473f760f8
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Fixed a few oversights and typos
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2022-08-13 13:07:31 -05:00 |
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29e1595fb4
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Updates to BibTeX syntax for anything that needed it that I caught and fixes to address Issue #2597
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2022-08-13 04:51:54 -05:00 |
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89deab6a3e
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silence compiler warnings
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2022-04-30 19:51:04 -04:00 |
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435f652263
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removed trailing whitespace in pair_ilp_tmd_opt and pair_saip_metal_opt
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2022-04-29 22:54:41 +08:00 |
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f93ac86c53
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updated Install.sh for OPT package to adopt new interlayer potential optimizations
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2022-04-29 22:05:52 +08:00 |
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943cb531bf
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Modified chunk code of pair_ilp_graphene_hbn_opt for adopting pair_saip_metal_opt and pair_ilp_tmd_opt
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2022-04-29 21:56:52 +08:00 |
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78c10bac4a
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clang-format update
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2022-04-23 13:08:11 -04:00 |
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115962db88
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Merge branch 'develop' into remove-error-docs-in-header
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2022-04-23 12:46:54 -04:00 |
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67bcfe3b62
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remove unused code and variables, more programming style consistency
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2022-04-23 09:26:35 -04:00 |
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b55b9f5a6a
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removed request for ghost neighbor list
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2022-04-23 20:35:48 +08:00 |
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ef51fb7dea
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Fix bugs, Derives from PairILPGrapheneHBN instead of Pair
Improve the performance of pair style, ilp/graphene/hbn/opt
Updates to the OPT package
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2022-04-23 19:45:50 +08:00 |
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8fe0231b75
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Fix bugs, Derives from PairILPGrapheneHBN instead of Pair
Add a new pair style, ilp/graphene/hbn/opt
Updates to the OPT package
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2022-04-23 19:43:34 +08:00 |
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c17845276a
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Derives from PairILPGrapheneHBN instead of Pair
Improve the performance of pair style, ilp/graphene/hbn/opt
Updates to the OPT packages
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2022-04-23 14:29:03 +08:00 |
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b631411985
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Derives from PairILPGrapheneHBN instead of Pair
Add a new pair style, ilp/graphene/hbn/opt
Updates to the OPT package
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2022-04-23 14:26:13 +08:00 |
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79a7d2abf6
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remove error docs from header files
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2022-04-22 23:31:15 -04:00 |
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3e9f207062
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Improve the performance of pair style, ilp/graphene/hbn/opt
Updates to the OPT package
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2022-04-22 20:00:28 +08:00 |
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e0049a07f3
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Add a new pair style, ilp/graphene/hbn/opt
Updates to the OPT package
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2022-04-22 17:55:05 +08:00 |
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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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de4a9f268e
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rename reverse communication calls
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2022-02-21 21:18:28 -05:00 |
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4c0192cae1
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rename forward communication functions for pair, fix, compute, and dump
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2022-02-21 21:15:10 -05:00 |
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06beb28d7d
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Apply override to Pair classes
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2022-01-21 16:13:49 -05:00 |
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88631372ec
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use nullptr instead of NULL or 0 where applicable
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2021-10-12 21:47:02 -04:00 |
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db4fcd7537
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update package dependency
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2021-07-30 15:24:23 -04:00 |
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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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7fcd449864
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apply clang-format to all headers with some exceptions
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2021-05-14 19:16:07 -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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a1665fddc8
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next iteration of preparing for clang-format
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2021-04-30 13:51:14 -04:00 |
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980244dd0c
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add protection comments
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2021-04-27 22:31:01 -04:00 |
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df7fe4431f
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make LAMMPS homepage URL and C++ indicator comments consistent
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2021-04-22 21:26:07 -04:00 |
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77402bdbc8
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avoid overflows when computing memory offsets and allocating memory
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2021-02-06 18:14:27 -05:00 |
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49bc05aa1b
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replace use of math_vector.h with math_extra.h in some more pair styles
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2021-01-15 17:25:44 -05:00 |
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51a20175c9
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more code formatting consistency changes for loops and conditionals
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2020-12-30 09:47:45 -05:00 |
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