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ea7f0deb42
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some compilers require a code block to follow OpenMP pragmas, even if empty.
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2023-11-24 14:46:49 -05:00 |
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be19b5c210
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Make naming consistent
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2023-11-17 12:46:45 -07:00 |
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6fc7f5689b
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Port changes to OPENMP package
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2023-11-17 10:04:11 -07:00 |
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06b962fc33
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Bugfix: port missed changes from #3846
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2023-11-17 09:50:03 -07:00 |
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0083cc9e26
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Port changes to OPENMP and INTEL packages
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2023-11-17 09:12:43 -07:00 |
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0f375715db
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modernize
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2023-11-11 13:27:44 -05:00 |
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7a425475e0
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get rid of redundant class members
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2023-11-11 10:27:28 -05:00 |
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2e43bb0865
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correct usage of virtual and override for rigid fixes and OpenMP versions
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2023-11-11 05:56:06 -05:00 |
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ae05e35017
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Merge branch 'develop' into fix-rigid-enforce2d
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2023-11-11 02:21:25 -05:00 |
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dc9140dfa8
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modernize
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2023-10-27 03:19:11 -04:00 |
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302e3be669
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make sure itag is initialized
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2023-10-18 07:51:25 -04:00 |
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51f0c9eac4
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Merge branch 'develop' of github.com:lammps/lammps into triclinic-neighbor-bug
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2023-10-16 12:18:04 -06:00 |
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86a5d6bb15
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must re-initialized threads also for neigbor lists
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2023-10-11 02:05:23 -04:00 |
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6ff7050d2d
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enforce that the number of threads is properly reset for /omp styles
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2023-10-03 19:47:34 -04:00 |
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5a455c5e3a
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remove redundant calls to fmt::format() from calls to error->one/all() and utils::logmesg()
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2023-09-26 23:56:51 -04:00 |
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35bf3e05ca
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Merge branch 'develop' into fix-rigid-enforce2d
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2023-09-22 12:01:57 -04:00 |
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2e79beb368
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signal that destructors may throw exceptions
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2023-08-23 03:37:54 -04:00 |
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e10e1190e2
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Merge branch 'develop' into triclinic-neighbor-bug
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2023-08-04 22:32:19 -04:00 |
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cc9dee5ecd
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use references instead of copies when looping over list of selected fixes
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2023-08-03 11:00:05 -04:00 |
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89fb236144
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port bugfix for colloid test failure
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2023-07-11 18:35:16 -04:00 |
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564a8e88c1
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use blanks on both sides of comparison operators not only one, remove blanks next to parenthesis
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2023-07-11 10:31:16 -04:00 |
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2eeea43320
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port neighbor list changes to OPENMP package
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2023-07-11 10:11:39 -04:00 |
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75a2557e82
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fix bugs where an Atom::tag value was stored in an int and not a tagint
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2023-07-09 15:41:39 -04:00 |
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9db5d45232
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port neighbor list build changes to corresponding OPENMP package files
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2023-07-09 15:29:18 -04:00 |
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227c4f2f1a
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Merge branch 'develop' into fix-rigid-enforce2d
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2023-06-15 10:04:48 -04:00 |
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4890d820f6
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enable and apply clang-format
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2023-04-21 12:27:14 -04:00 |
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8cfac6fd60
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consolidate enum into header file
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2023-04-21 12:23:03 -04:00 |
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3ed6612f08
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correct comment
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2023-04-14 23:20:22 -04:00 |
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e1e82e6715
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Merge branch 'develop' into fix-rigid-enforce2d
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2023-04-14 14:38:21 -04:00 |
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70f1d17495
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implement lj/expand/sphere
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2023-04-07 18:33:06 -04:00 |
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e82fd31bd4
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rename lj/sphere to lj/cut/sphere and add (yet non-functional) lj/expand/sphere
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2023-04-06 08:18:56 -04:00 |
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777ba98764
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cosmetic
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2023-04-04 08:56:07 -04:00 |
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6e09037aa3
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incremental improvements
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2023-04-04 05:20:53 -04:00 |
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d2565bb1e2
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port changes to OPENMP
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2023-04-03 22:30:30 -04:00 |
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dfd16c95ff
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Merge branch 'develop' into pair-lj-lepton-sphere
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2023-04-03 17:46:34 -04:00 |
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09deafd6d4
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modernize lookup of fixes
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2023-04-02 17:46:42 -04:00 |
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3f40d1ef5d
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port cutoff changes to OPENMP version
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2023-04-01 01:45:13 -04:00 |
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8439c0e0c6
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use the diameter for sigma in lj/sphere. update docs
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2023-03-30 14:14:30 -04:00 |
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1a17ecdeb8
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add OPENMP package versions of pair styles lj/sphere and lepton/sphere
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2023-03-28 21:03:20 -04:00 |
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584f526e71
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use emplace instead of push
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2023-03-26 21:40:49 -04:00 |
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0d8623c3f2
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simplified logic from clang-tidy
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2023-03-26 21:33:37 -04:00 |
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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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7edb42f190
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remove redundant code
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2023-03-25 06:30:30 -04:00 |
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974d560453
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enable and apply clang-format
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2023-03-25 06:30:19 -04:00 |
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095e00e3e9
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Merge pull request #3649 from akohlmey/collected-small-fixes
Collected small fixes
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2023-02-20 15:23:20 -05:00 |
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e99ec32b4b
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enable and apply clang-format
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2023-02-13 10:56:02 -05:00 |
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7fa298f2ef
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consistently support special_bonds settings in pair style gauss
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2023-02-10 04:47:19 -05:00 |
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2e52afbd86
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consistently skip over computing interactions with atoms set to NULL in hybrid styles
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2023-01-27 22:12:33 -05:00 |
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a31af4f46e
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Fix compile for OPENMP, remove unused var
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2023-01-27 12:28:21 -07:00 |
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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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