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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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382ade15fe
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more consistent formatting of for/while loops and if statements
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2020-12-30 09:09:08 -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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6113169a47
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IWYU based include statement cleanup
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2020-09-02 17:39:34 -04:00 |
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d241b17c8e
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remove unused setting and array
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2020-08-03 07:44:32 -04:00 |
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b665ca3bd9
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apply the same clamping of "p" to eam/opt that is used in eam
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2020-06-25 16:44:08 -04:00 |
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c989db60a7
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refactor EAM family of potentials to convert the potential data and leave compute functions alone
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2020-06-25 15:48:46 -04:00 |
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f9be8b3aa0
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add missing factor for EAM in OPT package
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2020-06-25 14:21:35 -04:00 |
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9d74984144
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Fix whitespace
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2020-06-16 07:20:09 -04:00 |
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4889488412
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rename count_embed to numforce and move the location where numforce is set to 0
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2019-11-15 19:49:30 -05:00 |
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e0646b73e3
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revised implementation of inclusion of embedding energy in PairEAM::single()
this variant is also ported to USER-OMP and OPT
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2019-11-13 01:46:00 -05:00 |
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416911aa7e
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more rearranging of include file order to put implementation headers first
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2019-07-03 21:57:39 -04:00 |
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fc1d8f2cbf
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more cleanup of include file handling. starting to work on files in packages
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2019-07-02 05:15:30 -04:00 |
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06a57dd659
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use ev_unset for all pair styles
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2019-03-13 17:49:16 +01:00 |
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5daf1fe0d4
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remove deprecated 'register' keyword. closes #922
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2018-05-18 17:43:18 -04:00 |
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a7a83b118d
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update dependencies for USER-CGSDK package. make script permissions consistent
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2018-05-09 16:13:54 -04:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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e9ac8ba01e
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cleanup embedded or trailing tabs
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2018-03-16 13:21:54 -04:00 |
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11cddd8798
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explicitly include math.h
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2018-01-06 19:42:40 -05:00 |
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