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ada61d96fe
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Update fix_reaxff_species.rst
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2024-05-08 19:46:07 -04:00 |
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382a449f58
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Merge branch 'lammps:develop' into fix_reaxff/species-fixes
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2024-02-13 18:46:04 -05:00 |
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c6a8f1fe58
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Merge pull request #4073 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-02-12 14:14:04 -05:00 |
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8f848d9a81
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update to use modernized APIs without directly accessing internal data of Modify
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2024-02-09 15:36:15 -05:00 |
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17ea598613
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update API access to fixes and computes. improve error messages.
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2024-02-09 15:30:57 -05:00 |
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5aca8099e6
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avoid installing libraries and headers for downloaded add-on libraries
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2024-02-09 13:38:12 -05:00 |
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1421d53b8c
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fix bug with assigning molecule IDs in parallel
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2024-02-09 11:04:07 -05:00 |
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524470f9fc
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document restriction for molecule sets. improve warning message.
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2024-02-09 11:03:44 -05:00 |
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245f8c2fad
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silence compiler warnings
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2024-02-09 10:43:38 -05:00 |
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69a999e565
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remove dead code
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2024-02-09 08:19:58 -05:00 |
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a2ae9dce64
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apply clang-tidy fixes
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2024-02-09 06:29:08 -05:00 |
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f8885cb266
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implement clang-tidy fixes
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2024-02-09 06:22:10 -05:00 |
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9c6e88f575
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use plumed version 2.8.3 by default
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2024-02-09 05:09:47 -05:00 |
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801c62dbde
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updated library for better Windows portability
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2024-02-09 04:14:14 -05:00 |
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953e01d2c4
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Linux to Windows cross-compilation is only supported by CMake
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2024-02-09 03:44:01 -05:00 |
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11580aea57
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update OpenCL loader library to latest upstream version
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2024-02-09 03:39:44 -05:00 |
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c967a5e6cc
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flag development version
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2024-02-08 12:47:52 -05:00 |
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ae666de3f7
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small optimization and portability to Solaris/OpenIndiana
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2024-02-07 22:57:12 -05:00 |
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77ec384620
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include kk suffix
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2024-02-07 19:58:05 -05:00 |
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843fe4f9e8
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remove dead code
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2024-02-07 19:57:51 -05:00 |
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b5a1c1abba
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Merge pull request #4071 from akohlmey/next_release
Update version tags and strings for the next feature release
patch_7Feb2024
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2024-02-07 18:49:29 -05:00 |
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c81d3ecb06
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Merge pull request #4072 from stanmoore1/fft_issue
Fix issue from #4007
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2024-02-07 17:32:49 -05:00 |
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420498edbc
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Remove duplicated code; MIN/MAX defined in pointers.h
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2024-02-07 14:51:05 -07:00 |
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700011f19f
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Merge branch 'develop' into fft_issue
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2024-02-07 14:49:32 -05:00 |
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9f8d7d2956
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replace random_external_state.h include from fix_shardlow.h with type declaration
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2024-02-07 14:49:05 -05:00 |
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72e3dc50ac
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Merge pull request #4070 from akohlmey/silence-warnings
Silence some compiler warnings and remove dead code
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2024-02-07 14:22:48 -05:00 |
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35fe562bdf
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Fix issue from #4007
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2024-02-07 11:47:44 -07:00 |
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1eeb7ab19e
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update version tags for feature release
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2024-02-07 05:03:20 -05:00 |
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ff5aa34f5a
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remove some dead code
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2024-02-07 04:39:42 -05:00 |
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6ecc348a66
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final changes so MGPT compiles without warnings with and without timings enabled
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2024-02-07 04:22:09 -05:00 |
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9921338ee1
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update log files for MGPT package
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2024-02-07 03:57:12 -05:00 |
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7886327243
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reduce warnings in MGPT package
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2024-02-06 20:45:49 -05:00 |
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031cef558e
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silence unused parameter warnings in the gpu lib tree
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2024-02-06 20:18:43 -05:00 |
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b9ec85427d
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Merge pull request #4007 from hagertnl/issue3775_fft_kokkos
KSPACE: decouple KOKKOS and non-KOKKOS FFT
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2024-02-06 19:01:15 -05:00 |
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c1024c811f
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Fix name issue
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2024-02-06 14:05:04 -07:00 |
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2f4dbdceb6
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Remove redundant checks
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2024-02-06 13:28:33 -07:00 |
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19a5de1be6
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silence compiler warning
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2024-02-06 15:11:31 -05:00 |
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5adbc09b71
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Move warning to avoid multiple instances
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2024-02-06 12:33:01 -07:00 |
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d3784154bf
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Merge pull request #4041 from akohlmey/test-fix-numdiff
Add fix numdiff based tests for bonded interactions
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2024-02-06 14:15:28 -05:00 |
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4b0c1f2605
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Merge branch 'develop' of github.com:lammps/lammps into issue3775_fft_kokkos
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2024-02-06 12:09:55 -07:00 |
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beaab56826
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Move define checks
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2024-02-06 12:08:00 -07:00 |
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46b39d2ca4
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Add warning
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2024-02-06 12:07:48 -07:00 |
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98876e0e2f
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Merge pull request #4067 from akohlmey/remove_unused_const
Remove unused constants
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2024-02-06 13:38:24 -05:00 |
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431788db49
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Need bifactor duplicated code
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2024-02-06 11:31:16 -07:00 |
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34cd8ad3bc
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Small cleanup
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2024-02-06 11:01:42 -07:00 |
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7fdc09608b
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add notes about using static constexpr to programming style guide
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2024-02-06 12:16:57 -05:00 |
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e95d52780c
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fix grammar error
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2024-02-06 11:47:58 -05:00 |
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0bb6be5dd9
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provide a more detailed description of the bundled tests
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2024-02-06 11:37:41 -05:00 |
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5773e35892
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recover compilation of MPI stubs on older systems that don't default to C++11
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2024-02-06 09:36:35 -05:00 |
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def362ffa4
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a few final updates
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2024-02-06 05:45:58 -05:00 |
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