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380c878e5f
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Merge remote-tracking branch 'github/develop' into cmake-adjustments
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2025-05-19 22:15:51 -04:00 |
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2744647c75
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Merge pull request #4594 from akohlmey/collected-small-changes
Collected small changes
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2025-05-19 22:13:37 -04:00 |
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2cc1356384
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skip MPI C++ support also for libraries
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2025-05-19 22:09:38 -04:00 |
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510563f5f3
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explicitly skip MPI C++ interface in colvars
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2025-05-19 21:51:53 -04:00 |
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70e1bb50f1
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add skip C++ defines for LAMMPS library instead
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2025-05-19 21:40:44 -04:00 |
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186a6431f7
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directly disable C++ support when compiling main.cpp
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2025-05-19 21:27:57 -04:00 |
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09b174d129
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turn off C++ support
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2025-05-19 21:15:00 -04:00 |
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5a8da735f2
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explicitly use the MPI::C imported target on the main executable
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2025-05-19 21:14:33 -04:00 |
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ad63eb8bf7
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Merge branch 'develop' into cmake-adjustments
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2025-05-19 21:03:07 -04:00 |
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b3402eaae8
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Merge pull request #4424 from jtavenner-dev/kmc
add fix neighbor/swap
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2025-05-19 20:57:00 -04:00 |
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b9b59bd23c
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small clarifications and corrections. Sync with current state of affairs
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2025-05-19 11:31:42 -04:00 |
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a821654ef5
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correct error message
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2025-05-19 11:30:51 -04:00 |
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2968a62937
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continue refactoring for bio force field and water moldel discussions
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2025-05-17 23:30:18 -04:00 |
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e393b9803b
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add information about the OPC model to the TIP4P howto
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2025-05-17 22:41:42 -04:00 |
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63ee449dc1
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reformulate description of force components
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2025-05-17 21:15:48 -04:00 |
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031fab210f
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update unittest for change in compute pair/local
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2025-05-15 23:28:46 -04:00 |
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629ec2eabe
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update for consistency with docs
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2025-05-15 23:16:31 -04:00 |
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5fd4d6bb87
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remove directionCorrection and update docs for compute pair/local and compute bond/local
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2025-05-15 23:15:59 -04:00 |
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c3c0180649
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correctly check for 32bit integer overflow
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2025-05-15 08:15:35 -04:00 |
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19cfd08eb8
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correctly enable GPU package and make fix imd wait in background for bucky+cnt example
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2025-05-15 08:15:01 -04:00 |
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fd8fb74a88
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cannot use Kokkos-OpenMP with recent hipcc
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2025-05-15 07:47:19 -04:00 |
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35f08232ba
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update for Fedora 41/42
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2025-05-15 07:46:48 -04:00 |
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2b7c05c057
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properly select linker for modern clang compilers
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2025-05-15 04:02:44 -04:00 |
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179d4f0148
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work around C++ error
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2025-05-15 02:53:51 -04:00 |
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32588f075e
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remove assignments of variables to themselves
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2025-05-15 02:53:12 -04:00 |
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9abb171d05
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more CMake scripting updates to use C style MPI libraries not C++
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2025-05-15 02:49:02 -04:00 |
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b3e7121535
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modernize project() command and create project version string with dots
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2025-05-15 02:14:35 -04:00 |
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85f0853910
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Merge branch 'develop' into cmake-adjustments
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2025-05-14 20:11:01 -04:00 |
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01bde55e9a
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match all argument types for powint()
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2025-05-13 12:53:03 -04:00 |
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68d2414b59
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Merge branch 'fix-kokkos-log2' of https://github.com/Luthaf/lammps into collected-small-changes
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2025-05-13 12:52:15 -04:00 |
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9ba50df9d8
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Select one overload of log2 for the kokkos build
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2025-05-13 16:09:13 +02:00 |
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83fa2cbc93
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enable PotentialFileReader class to change line buffer size
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2025-05-13 06:02:10 -04:00 |
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fdd91e597e
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add a few more tests for extracted global properties
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2025-05-13 02:44:05 -04:00 |
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75907ccf91
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add support to extract eflag/vflag_atom/global as global properties
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2025-05-13 02:32:27 -04:00 |
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2bcac9efba
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fix spelling issue
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2025-05-12 12:13:05 -04:00 |
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ef89edc4c6
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Additional edits
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2025-05-09 14:53:27 -06:00 |
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bb62f46404
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Merge branch 'kmc' of https://github.com/jtavenner-dev/lammps into kmc
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2025-05-09 14:27:05 -06:00 |
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17da04f07b
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Cleaned up language errors
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2025-05-09 14:25:08 -06:00 |
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6436cc87b7
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Corrected inconsistent voro-ID compute references and examples
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2025-05-09 14:23:03 -06:00 |
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3215141d9e
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Merge pull request #4584 from navlalli/update-docs
Update fix qtpie/reaxff and fix qeq/rel/reaxff docs
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2025-05-08 01:59:10 -04:00 |
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3be9a40bf8
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Merge branch 'develop' into update-docs
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2025-05-08 01:09:17 -04:00 |
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b69e8fff1f
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Merge pull request #4587 from akohlmey/collected-small-changes
Collected small changes and fixes
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2025-05-08 01:07:29 -04:00 |
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458c0844a8
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fix typo
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2025-05-07 17:44:38 -04:00 |
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acd53ebd7c
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update flag to accommodate changes in clang
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2025-05-07 17:13:36 -04:00 |
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ac556104c1
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link to MPI C interface instead of C++
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2025-05-07 17:12:57 -04:00 |
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22cddeee78
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fix spelling in comments
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2025-05-07 16:49:43 -04:00 |
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60fe08c328
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clarify and rewrap
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2025-05-07 15:47:35 -04:00 |
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38dffe2283
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Properly processing >1 fix set force
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2025-05-07 15:42:57 -04:00 |
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45944c4dc9
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Fixing passed arg from type to index
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2025-05-07 15:42:40 -04:00 |
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6c2f11ce75
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Merge branch 'develop' into update-docs
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2025-05-07 13:21:39 -06:00 |
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