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935c17f02e
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Document multi-configuration build support in CMake
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2021-11-04 16:32:21 -04:00 |
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1a940e052e
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add support for and apply clang-format to lammps-shell code
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2021-11-04 15:55:28 -04:00 |
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aab4f71019
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Merge branch 'develop' into multi-config-support
# Conflicts:
# unittest/force-styles/test_error_stats.cpp
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2021-11-04 15:50:49 -04:00 |
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2cd862e4a2
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Update lebedeva potential file and docs based on email on mailing list
https://matsci.org/t/lammps-users-webpage-and-parameter-file-for-the-lebedeva-potential/39059
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2021-11-04 15:24:41 -04:00 |
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8e89c7c654
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correct unit description of eta_n0 parameters. fixes #3016
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2021-11-04 15:24:41 -04:00 |
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825945f783
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mention that dump sorting is limited to less than 2 billion atoms
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2021-11-04 15:24:41 -04:00 |
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461a7afc22
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remove PYTHON from "most" cmake preset.
The PYTHON package cannot be compiled without the python development
support being installed, so it must not be in the "most" preset
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2021-11-04 15:24:41 -04:00 |
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3ec3085f39
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Merge pull request #3017 from akohlmey/portability-improvements
Portability improvements
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2021-11-04 12:21:11 -07:00 |
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564098e629
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Update Kokkos library in LAMMPS to v3.5.0
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2021-11-04 12:45:59 -06:00 |
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0909b4da92
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Updated dynamical matrix command to work with intel potentials
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2021-11-04 11:35:31 -07:00 |
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7c80911f66
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whitespace
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2021-11-03 15:23:29 -04:00 |
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439f997a10
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skip test for file not readable due to permissions on windows
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2021-11-03 14:54:38 -04:00 |
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62fc7b6fa0
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small tweaks to make replacing the CMakeLists.txt file work as expected
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2021-11-03 14:44:16 -04:00 |
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37dfc9e141
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simplify by not trying to use fetchcontent but do all steps manually
as it turns out, fetchcontent is calling external_project internally at
some point which to avoid is why this function was started in the first place
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2021-11-03 14:43:18 -04:00 |
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b7bf60ea53
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use the portable platform::unlink() instead of unlink()
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2021-11-03 14:26:50 -04:00 |
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b86a3a5d6b
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Added missing }
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2021-11-03 10:24:22 -07:00 |
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5241f93641
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Update third order format
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2021-11-03 10:12:17 -07:00 |
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35ff47411b
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Merge branch 'multi-config-support' of github.com:akohlmey/lammps into multi-config-support
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2021-11-03 12:35:40 -04:00 |
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7f0b2334a5
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update plugin loader test
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2021-11-03 11:52:32 -04:00 |
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b95e12bb6c
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add additional function argument where we can supply our own CMakeLists.txt file
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2021-11-03 11:50:39 -04:00 |
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eb3f928f31
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tweak epsilon for portability with windows
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2021-11-03 10:54:40 -04:00 |
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1ad982aa85
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improve portability of unit test code for windows compilers
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2021-11-03 10:54:21 -04:00 |
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50f39cd752
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implement and use a platform neutral abstraction of unsetenv(3)
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2021-11-03 10:53:45 -04:00 |
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e8f6024eae
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Fixed more whitespace issues
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2021-11-03 11:46:56 +00:00 |
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fc4fdd09ef
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Fixed more whitespace issues
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2021-11-03 11:44:29 +00:00 |
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a37a113044
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Merge branch 'lammps:develop' into intpos
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2021-11-03 11:02:01 +00:00 |
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b8970366e0
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Fixed whitespace issues
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2021-11-03 10:59:04 +00:00 |
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7ba211a727
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Update dynamical matrix format
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2021-11-02 21:57:55 -07:00 |
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a9c6f943e1
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correct test comparisons
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2021-11-02 23:07:44 -04:00 |
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6479116419
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Merge branch 'develop' into multi-config-support
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2021-11-02 16:39:12 -04:00 |
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515ef7bece
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Merge pull request #3015 from lammps/dump-image-doc
Move dump_modify options specific to image/movie to dump image doc page
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2021-11-02 13:22:27 -07:00 |
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80579593e0
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Merge pull request #3014 from akohlmey/collected_small_changes
Collected small changes and bugfixes
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2021-11-02 13:02:31 -07:00 |
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b044a2f88b
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switch to https protocol for cloning MathJax
https://github.blog/2021-09-01-improving-git-protocol-security-github/
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2021-11-02 15:26:45 -04:00 |
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d3af16c1fd
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Merge branch 'develop' into collected_small_changes
# Conflicts:
# src/fix_vector.cpp
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2021-11-02 14:41:16 -04:00 |
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71d48bc48a
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Merge branch 'cmake_fixes' of https://github.com/pzeiger/lammps into collected_small_changes
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2021-11-02 14:36:59 -04:00 |
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91e6586e05
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reorder
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2021-11-02 14:35:36 -04:00 |
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817e38fe68
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change references to git:// protocol for accessing github to https://
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2021-11-02 14:33:21 -04:00 |
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278e531c14
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fix typo
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2021-11-02 14:33:00 -04:00 |
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175f967051
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change references to git:// protocol for accessing github to https://
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2021-11-02 14:25:57 -04:00 |
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59c060cc0e
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switch to https protocol for cloning MathJax
https://github.blog/2021-09-01-improving-git-protocol-security-github/
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2021-11-02 14:14:08 -04:00 |
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0439671e86
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Merge pull request #3001 from akohlmey/modify-fix-compute-accessors
Add accessor functions to `Modify` and `Domain` that do not require using class internal data structures
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2021-11-02 11:02:01 -07:00 |
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628091c510
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add reference instead of replicating headline
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2021-11-02 13:33:08 -04:00 |
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a58242f24b
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couple last tweaks to make the pages easier to navigate
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2021-11-02 09:27:27 -06:00 |
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dfc68e3c75
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add header for dump_modify command summary
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2021-11-02 08:49:34 -04:00 |
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cf968ef286
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Intpos (#10)
* hbond comm added for rsq_hb
* lrefpos removed, extract scaled for oxDNA1
* Update pair_oxdna_hbond.cpp
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2021-11-02 09:52:56 +00:00 |
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bb176318fe
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Merge branch 'lammps:develop' into intpos
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2021-11-02 09:48:24 +00:00 |
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7a228eedd2
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move dump_modify options specific to image/movie to dump image doc page
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2021-11-01 15:16:39 -06:00 |
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9caad2be4d
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update security statement
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2021-11-01 09:59:38 -04:00 |
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d5bfa09faa
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modernize argument parsing
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2021-11-01 09:19:33 -04:00 |
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0bc9f887ec
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fix index error
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2021-10-31 19:46:37 -04:00 |
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