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bc5d742623
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explain that the computed force in python pair is force/r same as in Pair:single()
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2022-01-03 10:12:38 -05:00 |
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9c725d79d6
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correct code example for current code
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2022-01-01 16:42:28 -05:00 |
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0aa742934f
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correct docs for pair style local/density
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2021-12-08 00:51:52 -05:00 |
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027293d285
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whitespace
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2021-11-24 15:47:05 -05:00 |
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24d9b4b611
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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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2021-11-17 08:45:55 -05:00 |
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a0e75c9006
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correct unit description of eta_n0 parameters. fixes #3016
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2021-11-17 08:38:09 -05:00 |
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c042e12323
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clarifications and corrections for the discussion of the main git branches
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2021-11-17 07:04:13 -05:00 |
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e9efe46db9
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update branch names
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2021-11-17 07:03:56 -05:00 |
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ecc14b7308
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update documentation to refer to the new branch names (develop, release)
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2021-11-17 07:03:27 -05:00 |
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68223f0385
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mention that dump sorting is limited to less than 2 billion atoms
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2021-11-07 08:31:15 -05:00 |
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bd950b37d7
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change git:// protocol for accessing github to https:// protocol
https://github.blog/2021-09-01-improving-git-protocol-security-github/
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2021-11-02 15:30:27 -04:00 |
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d982298ab2
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update new LAMMPS paper citation info
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2021-10-28 10:09:01 -04:00 |
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7dfd11da4b
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re-freeze Sphinx and other pip installed packages for doc build
The change relative to the stable release fixes a bug with python 3.10 support
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2021-10-05 10:52:34 -04:00 |
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c4291a4b8e
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unfreeze versions of python packages used to build the documentation
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2021-10-02 23:57:23 -04:00 |
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c30ba70fab
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Merge pull request #2957 from akohlmey/next_release_version
Step version strings for stable release
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2021-09-29 20:40:00 -04:00 |
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2651e6ec2f
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make C library example work with strict C compilers
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2021-09-29 10:37:15 -04:00 |
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81d3eb0b2e
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add missing keyword
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2021-09-29 10:29:09 -04:00 |
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c4616d4a11
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Merge pull request #2962 from akohlmey/doc-updates
A few final updates to the LAMMPS manual
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2021-09-27 20:39:06 -04:00 |
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34fe792fad
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freeze versions of pip packages for processing the manual of the stable version
this way we avoid surprises in case one of the packages get updated
to an incompatible new version. these are know-to-work versions.
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2021-09-27 18:31:46 -04:00 |
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913ce25a01
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small tweak
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2021-09-27 17:13:32 -04:00 |
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9c4a82f286
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be more specific about what the name of the LAMMPS executable can be
also provide a few more examples without a machine suffix
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2021-09-27 16:50:25 -04:00 |
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9dbd5bb27d
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copy request to mention lammps.org form home page instructions for citing
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2021-09-27 16:49:29 -04:00 |
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7601001632
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Fix Colvars output files not written with "run 0"
See:
https://github.com/Colvars/colvars/commit/ff2f0d39ee5
which fixes a bug introduced in:
https://github.com/Colvars/colvars/commit/1e964a542b
The message applies to NAMD, but the logic used in LAMMPS when handling "run 0" is very similar.
The Colvars version string is also updated, however this commit does not
include other changes, such as the following:
https://github.com/Colvars/colvars/pull/419
which were not fully completed before the LAMMPS Summer 2021 finalization.
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2021-09-27 13:38:30 -04:00 |
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ea030c6dd8
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Merge branch 'master' into collected-small-changes
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2021-09-26 18:12:40 -04:00 |
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184e5fd779
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step version strings for stable release
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2021-09-25 23:04:53 -04:00 |
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46f331095a
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update some formulations as suggested by @sjplimp
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2021-09-23 13:51:06 -04:00 |
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16ab49cff4
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update citation info with new LAMMPS paper reference and acknowledge it
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2021-09-23 11:59:43 -04:00 |
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5ef4913ebb
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Merge remote-tracking branch 'github/master' into programmer-guide-updates
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2021-09-23 11:16:31 -04:00 |
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e79ae552c8
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mention how to set the path to the fftw3_omp library
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2021-09-22 12:23:20 -04:00 |
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8d8c710982
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Merge pull request #2942 from akohlmey/next_patch_release
Step version strings for the next patch release
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2021-09-20 20:35:23 -04:00 |
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f340e15587
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update version strings
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2021-09-20 16:26:47 -04:00 |
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c39d3057dc
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insert missing atom-ID
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2021-09-20 16:14:18 -04:00 |
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5ff881fb0d
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Change "offsite" to "external" to correct broken URLs to lammps.org
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2021-09-20 12:05:52 -04:00 |
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22d7ce564a
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fix typo
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2021-09-20 07:29:10 -04:00 |
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4fcf343227
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fix typo
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2021-09-18 21:59:31 -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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db76edbade
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implement utils::current_date() convenience function to reduce replicated code
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2021-09-18 09:05:35 -04:00 |
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5c14825d69
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Add stable link in docs
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2021-09-16 18:13:41 -04:00 |
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0fcc10b635
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fix typo
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2021-09-16 10:18:49 -04:00 |
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fef8f51d80
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refer to "XXX Coeffs" sections consistently
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2021-09-15 19:20:47 -04:00 |
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eb80102871
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spelling
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2021-09-15 13:51:31 -04:00 |
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c1fa663dd8
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Try to improve the pair style hybrid docs
This specifically tries to avoid the ambiguous use of "mixing" and
clarify that similar is still different when pair styles are concerned.
See discussion here: https://matsci.org/t/confusion-about-mixing-and-pair-coeff-section/38317/3
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2021-09-15 13:48:47 -04:00 |
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80f95e5087
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step version strings for next patch release
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2021-09-13 07:33:34 -04:00 |
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02da29513e
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Merge branch 'master' into programmer-guide-updates
# Conflicts:
# doc/lammps.1
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2021-09-09 23:34:46 -04:00 |
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e2b44e89a7
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Merge pull request #2927 from akohlmey/docs-update
Update documentation for the stable release
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2021-09-09 23:03:12 -04:00 |
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c1dbc110d9
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cosmetic changes for consistency
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2021-09-07 19:12:59 -04:00 |
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36eb2e30df
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correct URL
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2021-09-07 19:12:27 -04:00 |
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a4735628f9
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document flags that were missing in the man page and the help message
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2021-09-07 19:11:51 -04:00 |
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ad39aa85ab
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update style guide and requirements/suggestions for contributions
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2021-09-07 19:09:35 -04:00 |
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1ae15cf8b7
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Merge branch 'master' into programmer-guide-updates
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2021-09-07 19:01:21 -04:00 |
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