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3ae2f9966b
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work around warnings when compiling with C++ and gcc -pedantic
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2022-10-31 16:12:02 -04:00 |
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5ed7df248c
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a real MPI library is required for the test example
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2022-10-31 16:11:19 -04:00 |
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8e6c7fa416
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add note about the plugin version of the C library interface
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2022-10-31 14:42:12 -04:00 |
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513d081717
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reference the forum instead of the mailing list, which is disabled now
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2022-10-29 06:25:55 -04:00 |
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c157b2dea2
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add tests whether simple examples for coupling to the LAMMPS library can run
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2022-10-29 03:46:52 -04:00 |
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83dcf24092
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update README
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2022-10-28 21:14:24 -04:00 |
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00c80adf59
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add CMake build system
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2022-10-28 21:14:14 -04:00 |
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82d77e7ae1
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update example
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2022-10-28 21:14:01 -04:00 |
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78910eb0e1
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add comment that this file needs to be updated when APIs are added
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2022-10-28 21:13:50 -04:00 |
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38335a4d47
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update prototypes and struct entries for liblammpsplugin. port to windows.
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2022-10-28 21:13:17 -04:00 |
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e68b0b442e
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Merge pull request #3502 from akohlmey/collected-small-changes
Collected small changes and fixes
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2022-10-28 14:33:34 -04:00 |
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e70ccf454d
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fix cut-n-paste bug
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2022-10-28 10:11:50 -04:00 |
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dc2b0f1def
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Merge branch 'develop' into collected-small-changes
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2022-10-28 09:30:17 -04:00 |
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1de74508c3
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Merge pull request #3475 from akohlmey/refactor-testing
Refactor computes and fixes to use array of structs instead of many index arrays
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2022-10-27 17:07:52 -04:00 |
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3bfdc0aae9
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initialize pointer to null
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2022-10-27 17:05:55 -04:00 |
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e2f263b827
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protect against division by zero
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2022-10-27 17:04:10 -04:00 |
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ca091b2e75
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update ELECTRODE package instructions for traditional make. fix plural/singular.
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2022-10-27 16:23:55 -04:00 |
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a66f411edc
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add support to detect the BuildID of Windows 10 22H2
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2022-10-27 12:43:14 -04:00 |
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5824534ac6
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use symbolic constants Comm::BRICK / Comm::TILED for Comm::style
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2022-10-27 07:03:25 -04:00 |
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e6b67683aa
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update TIP4P howto
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2022-10-27 07:02:16 -04:00 |
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850a303f34
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Merge pull request #3500 from akohlmey/cmake-openmp-modernize
Modernize OpenMP detection and checks in CMake
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2022-10-27 00:09:13 -04:00 |
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336ec056de
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use googletest aliased targets consistently
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2022-10-26 22:37:24 -04:00 |
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0d47dc250a
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drop special OpenMP flags from presets. Will be detected by FindOpenMP.
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2022-10-26 22:37:04 -04:00 |
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6afa1d14d2
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downgrade KOKKOS OpenMP check to version 3.1
need to apply special exception for NVHPC/PGI compilers
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2022-10-26 22:36:15 -04:00 |
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ca6aba52bb
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modernize OpenMP detection and check for omp.h in CMake
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2022-10-26 22:35:41 -04:00 |
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cdbf475c00
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Merge pull request #3491 from mehdibghk/new-pair_style-ylz
New pair style ylz
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2022-10-26 15:40:41 -04:00 |
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71c8806764
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reformat, spelling, whitespace fixes. address minor grammar and content issues
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2022-10-26 05:18:06 -04:00 |
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d487d8af37
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Update in.flat_membrane
shape updated to 1 0.99 0.99
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2022-10-26 05:01:17 -04:00 |
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371c2d7cbb
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Pair ylz docs enhancements
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2022-10-26 05:00:25 -04:00 |
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d96bfcdf06
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Merge branch 'develop' into refactor-testing
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2022-10-24 20:07:58 -04:00 |
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4c176e5afc
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whitespace
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2022-10-24 19:54:43 -04:00 |
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fc59d7d3ca
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update LAMMPS developer contact info
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2022-10-24 18:28:12 -04:00 |
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34d70dd753
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Merge branch 'develop' into new-pair_style-ylz
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2022-10-24 18:27:24 -04:00 |
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2b8d6fc4d9
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Merge pull request #3485 from akohlmey/collected-small-changes
Collected small changes and fixes
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2022-10-24 18:23:52 -04:00 |
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d313179917
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add compatibility to VTK version 9.0 and above
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2022-10-24 16:25:10 -04:00 |
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248b7383c7
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Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
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2022-10-24 15:50:50 -04:00 |
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0146a19ed3
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silence unrecognized pragma warnings
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2022-10-24 15:42:17 -04:00 |
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27b37ebad0
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Merge pull request #3495 from akohlmey/update-email
Update contact email address in LAMMPS sources
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2022-10-24 13:49:31 -04:00 |
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3fe18c70ad
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Merge pull request #3497 from jrgissing/bond/react-create_atoms_error_check
Bond/react: create atoms error check
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2022-10-24 13:17:28 -04:00 |
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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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a7d55526e8
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update developer info
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2022-10-24 11:06:32 -04:00 |
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3c4b0a0c04
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expand homepage checker tool to check a few more folders and apply updates
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2022-10-24 10:58:39 -04:00 |
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43bd7cfaf4
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Merge pull request #3498 from schererc/develop
Update pair_threebody_table.cpp
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2022-10-24 10:24:45 -04:00 |
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b939ea55f6
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allow -kokkos on g 0 without GPU support, report GPUs only if ngpu > 0
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2022-10-24 05:05:49 -04:00 |
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1e2ffe6cb7
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must bootstrap centos 7 from dockerhub now
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2022-10-22 22:58:16 -04:00 |
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7aea2b8840
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update Plumed download to version 2.8.1
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2022-10-22 22:57:53 -04:00 |
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2aa1dfa6d6
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replace one more suffix
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2022-10-22 22:28:12 -04:00 |
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cd621e74f5
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it is safer to do a >= comparison instead of == for floating point numbers
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2022-10-22 15:03:37 -04:00 |
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94627b3ef7
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remove redundant curly braces
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2022-10-22 14:54:53 -04:00 |
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b96028eaf2
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Update pair_threebody_table.cpp
Correcting for hard coded ntheta = 79 in the extreme case that theta is exactly equal to 180.0 degrees.
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2022-10-22 16:38:37 +02:00 |
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