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4d630904b4
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relax a few more test criteria to be compatible with intel compilers
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2020-06-19 11:43:59 -04:00 |
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8f4e18ba3a
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change logic of selecting and allowing sanitizer options to be compatible with unsupported compilers
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2020-06-19 11:30:38 -04:00 |
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0249cf7510
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better and more general version of the previous commit
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2020-06-19 01:10:45 -04:00 |
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a4de04d823
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make certain that allocated buffers in Comm::rendezvous_all2all() are not NULL
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2020-06-19 00:44:09 -04:00 |
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343241cb63
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relax some test epsilons
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2020-06-19 00:43:11 -04:00 |
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e934f7bac3
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try to work around linker issues with older CMake versions and using coverage or sanitizers
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2020-06-19 00:20:20 -04:00 |
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7e2f29bb65
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Merge pull request #2168 from charlessievers/chem_snap
Chem snap bugifx
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2020-06-18 23:59:25 -04:00 |
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f78671c1a4
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reorganize memory (de-)allocation and fix substantial memory leak in MSM
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2020-06-18 23:43:16 -04:00 |
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d8e0f553b6
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Merge remote-tracking branch 'origin/chem_snap' into chem_snap
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2020-06-18 18:21:10 -07:00 |
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9b73b4a6ca
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Unnecessary loop over zero_yi for non chem snap multielement systems
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2020-06-18 18:20:30 -07:00 |
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02ffa46fa7
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simplify memory management and plug leaks in pair style bop
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2020-06-18 17:12:51 -04:00 |
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8eed1b27ff
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GPU Makefile cleanup
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2020-06-19 00:07:10 +03:00 |
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2ea5d9956a
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find_package is unnecessary for rocprim
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2020-06-19 00:01:03 +03:00 |
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328709513b
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plug memory leaks in pair style comb and comb3
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2020-06-18 16:34:25 -04:00 |
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fcdd2c5026
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prevent memory leaks in pair style tersoff/table
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2020-06-18 16:13:02 -04:00 |
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b83fab92bf
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document coding style and sanitizing options
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2020-06-18 13:35:07 -04:00 |
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dfe860c4bb
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update coding style
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2020-06-18 13:34:34 -04:00 |
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a42c68892f
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address memory leak and C versus C++ programming issues in pair style polymorphic
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2020-06-18 13:09:58 -04:00 |
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bfe42e3fbe
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make sure delete gc[n] is safe
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2020-06-18 12:40:08 -04:00 |
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5e597e551b
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avoid false positive
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2020-06-18 12:39:40 -04:00 |
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786473a189
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allow sanitizers also be active for force style test codes
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2020-06-18 12:39:23 -04:00 |
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8816d7fe3e
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plug small memory leak in pair style eam/cd
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2020-06-18 11:52:33 -04:00 |
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b866ea68f6
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make sanitizers an explicit cmake option (again) so we can set the flags properly
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2020-06-18 11:46:42 -04:00 |
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b0842a3fea
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tell GNU gcc to not try to optimize the atom style tester tool
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2020-06-18 11:45:56 -04:00 |
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41995b4665
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avoid false positives about memory leaks in force tester tools
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2020-06-18 11:45:26 -04:00 |
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77f6fecc86
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Merge pull request #1971 from charlessievers/chem_snap
Chemical specificity for SNAP
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2020-06-18 10:11:15 -04:00 |
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547137f737
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remove unused code
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2020-06-17 23:48:09 -04:00 |
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d6ca98cb44
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don't validate compiler flags provided with CMAKE_TUNE_FLAGS anymore
closes #2084
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2020-06-17 23:47:55 -04:00 |
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a221f13308
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Whitespace tweak
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2020-06-17 21:35:04 -06:00 |
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27912754c4
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Merge branch 'master' into collected-small-changes
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2020-06-17 21:18:29 -04:00 |
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753eb9b76d
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add tests for atom style charge
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2020-06-17 21:17:42 -04:00 |
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586c81b1be
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Merge pull request #2163 from rbberger/more-whitespace
Coding Standard tool updates
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2020-06-17 21:07:01 -04:00 |
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a200756d7b
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remove a bunch of redundant tests and add checking for restarts and consecutive atom ids
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2020-06-17 20:40:04 -04:00 |
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5bb9700124
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ensure that a LAMMPS instance could be created and the eim pair style is available
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2020-06-17 18:12:12 -04:00 |
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afe874ac5b
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add test for using write_data/read_data for atom style atomic
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2020-06-17 18:11:45 -04:00 |
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f75b8e1688
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Fix Makefile for GPU ROCm 3.5 backend
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2020-06-18 00:33:46 +03:00 |
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d3baa414d2
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Fix cmake for GPU ROCm 3.5 backend
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2020-06-17 23:33:16 +03:00 |
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a7967f8b3f
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Merge remote-tracking branch 'origin/master'
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2020-06-17 23:31:06 +03:00 |
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8a93c84e74
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make formatting consistent with lj/cut
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2020-06-17 15:03:36 -04:00 |
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2d52a09d08
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patch the source code to the ScaFaCoS lib with a proper fix instead of working around it with compiler flags
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2020-06-17 13:01:29 -04:00 |
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27f1ce71fd
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now also check all 'xxx_flag' variables
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2020-06-17 07:42:50 -04:00 |
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34e46cc336
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add workaround to USER-SCAFACOS package CMake script for linker error in FMM with GNU gcc 10.0
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2020-06-17 07:41:00 -04:00 |
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73c7ed1e9c
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start test for atom style charge
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2020-06-17 01:42:41 -04:00 |
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e88bb9dd59
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call MPI_Finalize() so we don't have spurious memory leaks from MPI reported by valgrind
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2020-06-17 01:42:17 -04:00 |
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39b61fbdbe
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add exit() to one() functions since compilers may not recognize that MPI_Abort() does not return.
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2020-06-17 01:30:41 -04:00 |
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61ace42e72
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check status of all per-atom fields
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2020-06-17 01:25:56 -04:00 |
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d990c1e7c0
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simplify through using {fmt}
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2020-06-17 01:25:22 -04:00 |
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32c1dcf44f
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improve match for "id" first checks
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2020-06-17 01:25:06 -04:00 |
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db469b5cfd
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plug memory leak in AtomVec classes
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2020-06-17 01:24:36 -04:00 |
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49af2c25ec
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add tester for atom styles
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2020-06-17 00:11:18 -04:00 |
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