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2fa99703bf
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Fix issues in Kokkos Tersoff and SW pair styles
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2022-04-12 15:49:28 -06:00 |
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12d7ef541b
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Need both versions of join
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2022-04-11 15:13:44 -06:00 |
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804c43b33c
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Merge branch 'develop' of github.com:lammps/lammps into fix_volatile
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2022-04-11 15:11:37 -06:00 |
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d6f7570d57
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avoid redundant use of boolean literals
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2022-04-10 20:47:31 -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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3eec2eec9a
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make buffer size a compile time constant and use strncpy() instead of strcpy()
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2022-04-10 18:33:17 -04:00 |
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200b4f13c7
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use dynamic cast instead of c-style cast when casting from base type to derived class
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2022-04-10 18:18:06 -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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413a01ade5
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apply clang-tidy updates
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2022-04-10 12:07:54 -04:00 |
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85b69000cd
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revert to use NULL instead of nullptr, so that it compiles without having to enable c++11 compatibility
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2022-04-09 20:54:59 -04:00 |
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ddf67ec42d
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properly use nullptr on pointers (with a little help from clang-tidy)
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2022-04-09 20:27:40 -04:00 |
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07bc76871c
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avoid unsafe strcpy()
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2022-04-09 19:01:42 -04:00 |
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4e81adaf8c
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make buffer size for text file reader adjustable
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2022-04-09 17:46:47 -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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c04db4b545
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modernize
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2022-04-09 07:01:42 -04:00 |
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e0c4f6164e
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silence compiler warnings
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2022-04-09 07:01:35 -04:00 |
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674d2a6788
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Merge branch 'develop' into remove-message-package
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2022-04-09 00:25:11 -04:00 |
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8b53ff9383
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Merge pull request #2921 from lammps/mdi-expand
Enhance MDI support in LAMMPS in its MDI package
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2022-04-09 00:18:50 -04:00 |
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d0d4bbf5ae
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Merge pull request #3196 from akohlmey/avoid-bigint-format-scanf
Refactor code to avoid XXXINT_FORMAT defines and xxscanf() function calls
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2022-04-08 21:24:57 -04:00 |
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5ff42d8993
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simplify
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2022-04-08 21:21:36 -04:00 |
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81933b7972
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silence compiler warnings
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2022-04-08 21:19:32 -04:00 |
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f3685fa8de
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fix bugs
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2022-04-08 21:18:55 -04:00 |
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375062d02c
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restore modern API usage
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2022-04-08 21:18:28 -04:00 |
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093667799d
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Merge branch 'develop' into mdi-expand
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2022-04-08 20:58:53 -04:00 |
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8cdce34b27
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Merge branch 'develop' into dump-style-yaml
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2022-04-08 18:42:28 -04:00 |
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fbc55937fe
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Merge pull request #3198 from bathmatt/pair-dpd
DPD-BASIC kokkosification
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2022-04-08 17:48:28 -04:00 |
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dff3bc5656
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Merge branch 'develop' into avoid-bigint-format-scanf
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2022-04-08 17:39:25 -04:00 |
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fc24cf15ce
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Merge pull request #3197 from akohlmey/custom-thermo-headers
add support for custom header keywords with thermo output and dump styles
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2022-04-08 17:29:35 -04:00 |
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d0edc48a65
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update purge list with removed source files from MESSAGE package
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2022-04-08 17:26:16 -04:00 |
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f405c7acc9
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add deprecation handling removed commands and styles
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2022-04-08 17:25:56 -04:00 |
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07aecb3678
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whitespace fixes and apply clang-format
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2022-04-08 16:36:21 -04:00 |
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bfaa1e9ed0
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whitespace
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2022-04-08 16:28:57 -04:00 |
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a7ccb16aa8
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Merge pull request #3192 from davidfir3/fep_ta
New feature compute fep/ta
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2022-04-08 16:27:12 -04:00 |
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33798b99a4
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remove debug print statement
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2022-04-08 14:08:51 -06:00 |
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caa977e869
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Remove redundant calls
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2022-04-08 13:28:14 -06:00 |
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f8ec0365c6
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Fix a few more issues
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2022-04-08 12:52:26 -06:00 |
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d99b1258e3
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remove volatile to fix build error from Kokkos commit (5574130fb333ac1745a52d4a6383ac95c64bdc0f)
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2022-04-08 11:13:31 -05:00 |
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4efdfaa8f3
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simplify and make consistent, fix time based dump bug
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2022-04-08 07:05:30 -04:00 |
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792ae5dae5
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remove src/MESSAGE package and supporting dirs and doc pages
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2022-04-07 15:44:48 -06:00 |
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40aa146624
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Prune unused code and fix virial issue
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2022-04-07 15:05:07 -06:00 |
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ddb6350fe8
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Remove unused var
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2022-04-07 10:53:38 -06:00 |
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2956aee8dc
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Small tweaks
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2022-04-07 10:45:50 -06:00 |
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4f67f586d0
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Fix memory issue and leftover debugging
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2022-04-07 10:02:58 -06:00 |
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fdf59e6a03
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more debugging for plugin library mode
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2022-04-07 09:26:43 -06:00 |
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082254455b
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improve confusing error messages
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2022-04-07 00:37:30 -04:00 |
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348ee5299e
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implement a dump style yaml
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2022-04-06 19:11:55 -04:00 |
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207b34ae12
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allow for pre-timestepping comm with engine, e.g. for force eval
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2022-04-06 16:38:58 -06:00 |
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4bd28cf920
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altering how plugin mode works
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2022-04-06 15:24:02 -06:00 |
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2b8b916cba
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delete unused enums
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2022-04-06 10:08:53 -04:00 |
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cd7f08a8e7
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support dump_modify for column headers in ADIOS dump styles
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2022-04-06 09:31:01 -04:00 |
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