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842896040d
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Merge branch 'develop' into aurora_updates, resolve merge conflicts
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2024-09-06 11:20:29 -04:00 |
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37e6f3ef21
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kspace: add NVPL FFT support
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2024-09-04 12:00:31 -06:00 |
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f0513bad4c
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cleanup
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2024-08-29 18:20:41 +00:00 |
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bd0574c11d
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2024-08-08 13:43:25 -04:00 |
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dbf9c75509
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some more atom info in "info system"
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2024-08-08 11:22:02 -04:00 |
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85f322e4f2
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add introspection support for -DLAMMPS_CURL
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2024-08-07 10:27:19 -04:00 |
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b7bb8083ed
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implement -restart2info command line flag and document it
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2024-08-06 17:14:46 -04:00 |
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7561e05218
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output timestep info as part of the system info
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2024-08-05 19:39:57 -04:00 |
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c1538c2f78
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move varstyle array definition to Variable class so it can be used in a more general way
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2024-05-22 23:42:56 -04:00 |
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11b2538cdb
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print fft info also with -help flag, using single function to create string
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2024-02-05 17:32:45 -05:00 |
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3c184aac84
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add fft support to info command
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2024-02-05 16:45:01 -05:00 |
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92220140ab
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indicate if Intel package SIMD directives are enabled
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2023-11-27 22:20:50 -05:00 |
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35103df86b
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make compatible with Kokkos 3.7
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2023-11-23 14:25:30 -05:00 |
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742a772767
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report Kokkos library version and OpenMP standard version
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2023-11-23 00:24:34 -05:00 |
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e6524b59fa
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only check significant chunk of the words
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2023-11-12 04:43:17 -05:00 |
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d864b4789f
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refactor variable info in Info class, make info accessible from library interface
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2023-08-25 23:55:42 -04:00 |
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0cd5ae5f2e
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remove -DLAMMPS_EXCEPTIONS and always enable the corresponding code paths
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2023-04-15 17:49:08 -04:00 |
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11d0449fec
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make compatible to non-glibc Linux
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2023-01-22 18:25:32 -05:00 |
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01a54723d7
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more iwyu updates
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2022-12-11 23:40:31 -05:00 |
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e0792d3a62
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apply code changes suggested by clang-tidy
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2022-12-11 18:44:50 -05:00 |
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2132b1d904
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update developer reference text
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2022-10-24 11:08:26 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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b6ce6755d9
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add Atom::get_style() method
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2022-08-27 16:13:00 -04:00 |
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0e2b51010c
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simplify
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2022-08-11 09:51:37 -04:00 |
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429cd204c4
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bugfix in dipole neigh list memory usage
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2022-06-01 16:26:25 -06:00 |
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d4ea5ca49e
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more clang-tidy fixes after re-running it with added settings
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2022-05-14 07:18:05 -04:00 |
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5784fab588
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starting to add timer-style variable
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2022-05-05 17:04:50 -06:00 |
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aa4787f604
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complete region handling refactor
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2022-04-16 00:17:39 -04:00 |
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d6f7570d57
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avoid redundant use of boolean literals
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2022-04-10 20:47:31 -04:00 |
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200b4f13c7
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use dynamic cast instead of c-style cast when casting from base type to derived class
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2022-04-10 18:18:06 -04:00 |
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39b316729b
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use auto type when assigning from cast or using new
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2022-04-10 18:16:36 -04:00 |
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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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d391ae845b
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convert static class members with git info to functions to simplify auto-export on Windows
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2022-01-27 17:20:05 -05:00 |
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3dcfc0dfc6
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skip redundant KOKKOS host/device styles info/help lists
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2021-12-22 20:13:30 -05:00 |
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c8512249b7
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Merge branch 'develop' into modify-fix-compute-accessors
# Conflicts:
# src/PLUGIN/plugin.cpp
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2021-10-27 21:14:05 -04:00 |
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1247f4d67b
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add function to print information about available compressions tools
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2021-10-26 20:00:55 -04:00 |
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8bf016eaef
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use references when looping over fixes from list
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2021-10-25 21:41:57 -04:00 |
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d0416757b7
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simplify using new APIs
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2021-10-24 18:00:15 -04:00 |
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2e362b1f3f
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use get_(fix|compute)_by_id() instead of find_(fix|compute)()
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2021-10-20 06:56:46 -04:00 |
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47523da16b
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allow single precision FFT introspection
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2021-10-15 20:03:39 -04:00 |
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ef04f6ca69
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Merge pull request #2993 from akohlmey/collected_small_changes
Collected small changes and fixes
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2021-10-14 15:32:42 -04:00 |
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e56cc9be00
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use initializer list instead of explicit constructor
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2021-10-14 01:12:44 -04:00 |
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afad3f42d5
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Report only compatible GPU, i.e. no GPU if mixed/double precision is requested by the hardware does not support it
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2021-10-13 21:15:16 -04:00 |
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8b36061db4
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replace MPI_Wtime() with platform::walltime()
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2021-10-05 22:53:39 -04:00 |
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cc2d23de21
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use platform::cputtime()
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2021-10-05 22:31:06 -04:00 |
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37bfe3d0ce
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integrate platform sub-namespace into source code and documentation
this updates function calls to functions that have been moved from
the utils namepsace or the Info class to platform::
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2021-10-02 16:55:11 -04:00 |
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bca99f684f
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update list and order of include files from include-what-you-use analysis
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2021-09-18 14:16:48 -04:00 |
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b1092cfa4e
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detect C++20 standard
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2021-09-14 11:56:43 -04:00 |
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c8170c3388
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fix mingw 32-bit vs 64-bit craziness
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2021-09-13 10:14:34 -04:00 |
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ede3762e84
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detect a few more compilers
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2021-09-13 00:29:04 -04:00 |
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