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d710d19aef
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Enforce pre_exchange() order for (currently) unused update option
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2022-03-25 15:56:59 -06:00 |
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dad8fb8b06
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Removing residual files
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2022-03-24 11:44:44 -06:00 |
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92a968a8a9
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Resolving merge conflicts
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2022-03-23 14:28:27 -06:00 |
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9417e41676
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Rename sphere/bpm, remove bond instance, add smooth option
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2022-03-23 11:41:27 -06:00 |
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3e7de83e6e
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Merge pull request #3179 from akohlmey/thermo-refactor-plus-yaml
Refactoring of Thermo class and new thermo style yaml
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2022-03-22 20:17:25 -04:00 |
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8954ac4f20
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correct/simplify for GPU device specialization
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2022-03-21 17:12:43 -04:00 |
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4c1a6d7ecf
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tweak settings for thermo style "one"
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2022-03-21 14:44:07 -04:00 |
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6c30bdf082
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add missing reaxff files to purge list
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2022-03-21 14:35:09 -04:00 |
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356555418d
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remove dead code
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2022-03-20 00:41:26 -04:00 |
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45d246b9c5
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Merge branch 'develop' into thermo-refactor-plus-yaml
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2022-03-19 21:55:18 -04:00 |
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d539dcd8d4
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repair collateral damage to NETCDF package from Thermo class refactor
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2022-03-19 20:54:50 -04:00 |
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1b7da77a4a
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update some more version change timestamps
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2022-03-19 20:20:30 -04:00 |
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294dd2778a
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update thermo style yaml docs and examples for reading and parsing
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2022-03-19 20:19:52 -04:00 |
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c70b0b39ac
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update documentation for modifying LAMMPS to reflect changes to Thermo class
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2022-03-19 18:06:56 -04:00 |
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74103b141a
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enable and apply clang-format
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2022-03-19 18:03:29 -04:00 |
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a4d2062865
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reduce redundant code with helper functions and simplify by using std::string
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2022-03-19 18:01:12 -04:00 |
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f5ebfbf90b
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refactor thermo output processing and add new yaml thermo style
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2022-03-19 16:39:09 -04:00 |
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649e8a27b3
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Merge pull request #3159 from akohlmey/neigh-request-refactor
Refactor neighbor list request code
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2022-03-19 00:47:09 -04:00 |
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4399559259
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adjust epsilon for unit test on MacOS
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2022-03-18 23:37:54 -04:00 |
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ad5235a764
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update yaml file for force style unit tests with higher precision numbers
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2022-03-18 22:44:50 -04:00 |
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c80a182150
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relax epsilon for MSVC++ test
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2022-03-18 21:20:44 -04:00 |
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88ac22cd62
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silence compiler warnings. avoid uninitialized access.
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2022-03-18 20:02:49 -04:00 |
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4f3a9f9b63
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Merge branch 'develop' into neigh-request-refactor
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2022-03-18 19:23:51 -04:00 |
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3f28768b5e
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Merge pull request #3177 from akohlmey/collected-small-changes
Collected small changes and fixes
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2022-03-18 19:22:40 -04:00 |
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a96aef73d1
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Merge remote-tracking branch 'github/develop' into neigh-request-refactor
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2022-03-18 18:28:35 -04:00 |
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3828518e5e
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implement suggestions from @athomps
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2022-03-18 18:28:20 -04:00 |
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2b2bc64ad9
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Merge pull request #3178 from akohlmey/sphinx-theme-update
Update LAMMPS theme for HTML pages of the manual
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2022-03-18 18:09:56 -04:00 |
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68673633f0
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silence compiler warnings about unused variables
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2022-03-18 18:09:24 -04:00 |
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a7fce6dc39
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add harmonic/cut to python example folder. small tweaks to docs and examples
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2022-03-18 17:58:30 -04:00 |
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6c6a6b7c64
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provide more complex example for using pair style python
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2022-03-18 17:07:01 -04:00 |
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364ac40724
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Merge pull request #3169 from stanmoore1/kk_reduce_mem
Reduce memory use in Kokkos package
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2022-03-18 14:21:30 -04:00 |
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8fe7b928a7
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use newer APIs to get access to fixes and computes
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2022-03-18 13:16:18 -04:00 |
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cc2ba3c350
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make sure parameters are stored symmetrically
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2022-03-18 13:02:34 -04:00 |
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f928cc2335
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update github managers.
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2022-03-18 11:37:49 -04:00 |
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008c000bfe
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update LAMMPS theme for HTML pages from readthedocs theme to version 1.0.0
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2022-03-18 07:44:47 -04:00 |
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815718f33a
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follow conventions
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2022-03-18 06:06:48 -04:00 |
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bc8998c997
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correct toycar input example
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2022-03-18 06:02:38 -04:00 |
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477d53bcdb
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check for sufficient number of arguments in command line
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2022-03-18 06:02:38 -04:00 |
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734d867a91
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use preprocessor for conditional compilation
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2022-03-18 06:02:28 -04:00 |
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626b2c4bab
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use utility functions
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2022-03-18 05:52:34 -04:00 |
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43b4240503
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use sizeof(double) not sizeof(MPI_DOUBLE), bigint instead of long int
also use fmt::print() for typesafe output
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2022-03-18 05:51:35 -04:00 |
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32612d3f5b
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enable and apply clang-format
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2022-03-18 00:06:28 -04:00 |
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6d38ce5284
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enable and apply clang-format
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2022-03-17 23:40:37 -04:00 |
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85e581eb2a
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enable and apply clang-format
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2022-03-17 19:44:53 -04:00 |
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58030009da
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new math constants: DEG2RAD and RAD2DEG
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2022-03-17 19:44:34 -04:00 |
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6e7eedf148
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enable and apply clang-format
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2022-03-17 18:41:17 -04:00 |
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fb8074d294
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renormalize line endings. add .gitattributes to configure them explicitly
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2022-03-17 18:21:31 -04:00 |
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fc532ae1a0
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list submodules to be updated explicitly for compatibility with CMake 3.16 and later
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2022-03-17 16:53:44 -04:00 |
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1e21b8fac1
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enable and apply clang-format
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2022-03-17 15:37:50 -04:00 |
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57cf2a735a
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add support for '-f' option to shell rm built-in command
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2022-03-17 15:17:44 -04:00 |
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