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b9f5bb60e9
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Fix layout
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2022-02-18 08:08:48 -07:00 |
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4e03589cee
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use symbolic constants and fix out of bound accesses
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2022-02-18 05:07:18 -05:00 |
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9151a2e820
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address unititialized data warnings from coverity scan
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2022-02-18 04:46:30 -05:00 |
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2aff105124
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nicer shake stats output
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2022-02-18 04:24:27 -05:00 |
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537e3f2539
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silence compiler warnings
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2022-02-17 23:13:13 -05:00 |
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d14035eb6b
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Fix bug
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2022-02-17 20:59:36 -07:00 |
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da3c3723bd
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add code to print warning if qeq fix is appled to a non-neutral group. document.
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2022-02-17 22:51:49 -05:00 |
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0cb45ebd6b
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Kokkos QEq refactor
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2022-02-17 16:25:02 -07:00 |
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01bbb28418
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Merge pull request #3135 from akohlmey/next_patch_release
Step version strings for the next patch release
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2022-02-17 15:05:43 -05:00 |
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7fe194e59e
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Merge pull request #3136 from rbberger/collected-small-changes
Collected small changes
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2022-02-17 13:20:51 -05:00 |
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7b948e7bb8
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Bug fix for Intel package skip lists with multiple runs.
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2022-02-17 09:37:01 -08:00 |
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12eeaee8a4
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Correct bug in PairHybridScaled::single
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2022-02-16 13:48:10 -05:00 |
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78b123fa4d
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apply new convention for virtual functions and disable single() functions (for now)
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2022-02-16 06:50:26 -05:00 |
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47bb5f5ccd
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use a local std::map with initializer to have variant specific strings
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2022-02-16 06:36:17 -05:00 |
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08968cbdbf
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apply clang-format
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2022-02-16 06:14:19 -05:00 |
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32cde04000
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Merge branch 'develop' into ilp-for-tmds
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2022-02-16 06:04:34 -05:00 |
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6d2f4343d9
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Merge pull request #3133 from stanmoore1/kk_error
Add error if using multiple threads with Kokkos Serial backend
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2022-02-15 22:25:04 -05:00 |
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a7939b582a
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step version strings for the next patch release
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2022-02-15 22:10:06 -05:00 |
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d4bbb31270
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Improve error check
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2022-02-15 16:04:23 -07:00 |
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ae72356961
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Removed unnecessary declarations in compute_born_matrix numdiff part. Commented virial_addon method.
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2022-02-15 23:26:40 +01:00 |
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f53fbf09a6
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Fix memory leak in FixBondReact
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2022-02-15 15:51:48 -05:00 |
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d9e06e326a
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Merge branch 'develop' of github.com:lammps/lammps into kk_error
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2022-02-15 12:11:52 -07:00 |
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3b359a0d81
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Merge branch 'develop' of https://github.com/lammps/lammps into amd_hip_opt
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2022-02-15 12:08:03 -07:00 |
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c2d59d5d5e
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Add error if using multiple threads with Kokkos Serial backend
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2022-02-15 11:52:59 -07:00 |
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2f281b3184
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Merge branch 'develop' of github.com:lammps/lammps into Elastic_stress
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2022-02-15 16:19:03 +01:00 |
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618b3ec94f
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Merge pull request #3131 from akohlmey/lammps-cxx-style
More general LAMMPS code design info for the Programmer guide section of the manual
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2022-02-14 18:13:32 -05:00 |
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702a2dd3f6
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Merge pull request #3130 from akohlmey/iwyu-update
Update list of include statements based on the IWYU utility
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2022-02-14 17:25:32 -05:00 |
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f84790ba62
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add a more specific example to explain how values are rejected and how atoi() fails
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2022-02-14 15:52:33 -05:00 |
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374a172246
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Changed "exclude" keyword to "overlap"
+ added new error description to header file
+ minor fix in the doc file
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2022-02-14 12:46:44 +01:00 |
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3bc91386a0
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apply include statement updates suggested by running IWYU
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2022-02-13 19:39:15 -05:00 |
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b42aebc197
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silence compiler warnings
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2022-02-13 18:19:50 -05:00 |
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eb2fe7d982
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correct inconsistent prototypes
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2022-02-11 23:37:40 -05:00 |
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922b240678
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Interlayer Potential for TMDs and Metal Surfaces
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2022-02-12 06:05:11 +02:00 |
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81587527fe
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Merge pull request #3120 from rbberger/collected_small_changes
Collected small changes
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2022-02-11 20:26:10 -05:00 |
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de08307aba
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Merge pull request #3124 from akohlmey/hide-factory-symbols
Reduce number of visible symbols in LAMMPS library by removing factory function templates from class definition
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2022-02-11 20:23:52 -05:00 |
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54f975ff52
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Merge pull request #3123 from stanmoore1/reax_error
Remove incorrect error check in ReaxFF
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2022-02-11 19:34:53 -05:00 |
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df02598fc1
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convert one more factory template
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2022-02-11 18:38:36 -05:00 |
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6a0e93a18a
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convert more style_creators to use local static functions
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2022-02-11 18:29:52 -05:00 |
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5ab9b46b67
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enable and apply clang-format
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2022-02-11 18:04:46 -05:00 |
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a4244eb7ff
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apply simplification suggested by @rbberger
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2022-02-11 17:57:30 -05:00 |
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04cff0b47b
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remove make factory function templates from class and make them static functions
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2022-02-11 16:00:12 -05:00 |
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5ba2fc7958
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Merge branch 'reax_error' of github.com:stanmoore1/lammps into amd_hip_opt
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2022-02-11 13:56:52 -07:00 |
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fbd4d4b9c3
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Merge branch 'develop' of github.com:lammps/lammps into amd_hip_opt
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2022-02-11 13:56:38 -07:00 |
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a8dbb3a172
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Remove incorrect error check in ReaxFF
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2022-02-11 13:39:24 -07:00 |
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ecd072a286
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address spelling issues
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2022-02-11 09:03:59 -05:00 |
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1f6c4089bd
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remove some more dead code in CG-DNA package
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2022-02-11 07:41:09 -05:00 |
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397889e697
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Modifications to virial addon contributions
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2022-02-10 19:55:23 -07:00 |
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d750ef4890
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simplify
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2022-02-10 20:39:36 -05:00 |
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c32dca2009
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avoid failures with "most" presets
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2022-02-10 20:11:27 -05:00 |
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4ea4bee30c
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apply virtual and override keywords consistently
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2022-02-10 16:55:35 -05:00 |
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