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12f746046f
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finalize {fmt} lib info
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2022-02-14 08:45:55 -05:00 |
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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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1307371942
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update/correct iwyu additional mappings
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2022-02-13 18:20:12 -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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83beffbb9f
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whitespace
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2022-02-13 17:08:18 -05:00 |
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810717bfe5
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discuss stdio vs iostreams and fmtlib
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2022-02-13 16:01:27 -05:00 |
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1ab5b9d7fd
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re-sort list of false poisitives alphabetically with "sort"
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2022-02-13 16:01:26 -05:00 |
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1c7e1faeff
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add sections on inheritance, compositing, polymorphism
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2022-02-13 16:01:14 -05:00 |
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6887a16fa1
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start add general code design doc.
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2022-02-13 16:00:51 -05:00 |
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193dea6327
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Updated the comment to be precise on the case
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2022-02-13 14:51:00 -06:00 |
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159f107abd
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Corrected the added comment
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2022-02-13 11:16:01 -06:00 |
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bae4e45978
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Added a comment to the added check while looping over the neighbors of ghost atoms
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2022-02-13 09:17:05 -06:00 |
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9d518ee1e2
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must ensure that BUILD_SHARED_LIBS retains its original value
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2022-02-13 10:00:19 -05:00 |
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55a500cf8a
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Fixed bugs with in the kernel sw_three_end kernel
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2022-02-13 00:42:26 -06:00 |
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4eedfeb774
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detect if LAMMPS library initialization failed and raise an exception
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2022-02-12 22:43:18 -05:00 |
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78d149f118
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update to download improved loader sources that make installing optional
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2022-02-12 13:21:10 -05:00 |
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d85788305d
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update manual
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2022-02-12 10:37:09 -05:00 |
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4343e8194c
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update README file
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2022-02-12 10:20:49 -05:00 |
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096ea21dd9
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correct potential file output header (must have 3 comment lines)
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2022-02-12 10:14:09 -05:00 |
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8808b11d26
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must write out 3 lines of comment in fortran code. sync output style with python
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2022-02-12 10:04:24 -05:00 |
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2fdadcfeb6
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include UNITS: metadata tag
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2022-02-12 10:01:20 -05:00 |
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0113346e54
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apply some pylint recommendations
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2022-02-12 10:01:01 -05:00 |
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3cca41b72e
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print help without arguments. clarify help message and argument names text
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2022-02-12 09:38:05 -05:00 |
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69d3b1ebf3
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output files are now named .eam.alloy
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2022-02-12 09:37:23 -05:00 |
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0f5fbf1c42
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update citation info format
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2022-02-12 09:36:53 -05:00 |
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06d4bb3faf
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set date dynamically
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2022-02-12 09:33:37 -05:00 |
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e9b11e3673
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Added Python version of Zhou04_create_v2.f: create_eam.py and eamDatabase.py in tools/eam_database
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2022-02-12 12:42:54 +01:00 |
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a77680ac7b
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Merge branch 'develop' into python_use_setuptools
# Conflicts:
# cmake/CMakeLists.txt
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2022-02-12 00:37:03 -05:00 |
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99c1b935b5
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convert OpenCL loader build from ExternalProject_add to ExternalCMakeProject
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2022-02-11 23:49:08 -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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75dc7125e6
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Update doc of pair sw/mod
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2022-02-12 06:12:12 +02:00 |
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e5dec93a1e
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Update doc of pair ilp/graphene/hbn
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2022-02-12 06:09:29 +02:00 |
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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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a5fe8b0581
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update OpenCL loader to latest OpenCL spec sources
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2022-02-11 22:01:04 -05:00 |
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a17bdf5652
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silence compiler warnings and avoid infinite recursion in aspherical pair styles
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2022-02-11 21:06:16 -05:00 |
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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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4df5686709
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Merge branch 'amd_hip_opt' of github.com:stanmoore1/lammps into amd_hip_opt
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2022-02-11 13:57:19 -07:00 |
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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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ea94095bf6
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Change email in docs
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2022-02-11 12:51:47 -05:00 |
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ecd072a286
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address spelling issues
|
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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