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28d86578a3
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update version strings for next patch release
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2021-10-27 15:26:58 -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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f0318fb874
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try to make changing LMP_INC settings less confusing to inexperienced people
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2021-10-26 19:16:13 -04:00 |
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81a5beb8cc
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must not have folders names differing only in case: "MC" versu "mc"
This is causing problems on MacOS and Windows with case preserving
but case insensitive file systems.
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2021-10-18 18:13:21 -04:00 |
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0e369fb9b5
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update example to represent recent style changes.
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2021-10-18 13:47:29 -04:00 |
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34d54247b6
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Merge branch 'develop' into collected_small_changes
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2021-10-13 22:55:21 -04:00 |
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a1572ce9a5
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link with -ldl except on Windows for dlopen/dlclose/dlsym support
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2021-10-13 22:47:25 -04:00 |
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a1fb6902d5
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Merge pull request #2992 from lammps/molswap
Add a new fix mol/swap command
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2021-10-13 21:33:52 -04:00 |
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c5617dc006
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fix spelling and make consistent
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2021-10-13 19:25:09 -04:00 |
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69a3b5b215
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move common init() code into base class. warn when used with fix efield
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2021-10-13 18:54:10 -04:00 |
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a922c91c1a
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document restrictions to using ReaxFF charge equilibration with fix efield
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2021-10-13 18:53:09 -04:00 |
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9cfb822847
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Merge branch 'master' of github.com:lammps/lammps into acks2_release
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2021-10-13 13:37:04 -06:00 |
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a8f42bd534
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tweak to atom/swap doc page
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2021-10-12 11:50:04 -06:00 |
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c22dae8d2c
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add a new fix
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2021-10-12 11:48:26 -06:00 |
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113c53a5da
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doc page for new fix mol/swap
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2021-10-12 11:45:50 -06:00 |
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9cf6b927cb
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Merge branch 'master' into collected-small-changes
# Conflicts:
# src/REAXFF/fix_reaxff_species.cpp
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2021-10-11 21:24:11 -04:00 |
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96a45224de
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whitespace
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2021-10-11 21:10:14 -04:00 |
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27c9ba465b
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avoid duplication of Accelerator package info in additional doc pages
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2021-10-11 16:49:59 -06:00 |
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cb77555fa6
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update title in reference to accelerator section
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2021-10-11 17:26:24 -04:00 |
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1f4c50037b
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Merge branch 'master' into acks2_release
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2021-10-11 16:13:20 -04:00 |
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70cbb72e42
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Merge branch 'master' into acks2_release
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2021-10-11 09:58:44 -04:00 |
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0c57267a85
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update branch names
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2021-10-10 04:44:45 -04:00 |
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eb6b73c752
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update documentation to refer to the new branch names (develop, release)
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2021-10-10 04:39:16 -04:00 |
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09bcfc2116
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document visual studio support
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2021-10-08 15:33:49 -04:00 |
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b5061b69be
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add warning to fix reaxff/species to explain the impact of large averaging
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2021-10-07 20:46:01 -04:00 |
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6a9bb577cf
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rename "zip" functions to "compress" functions. update related docs
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2021-10-07 12:38:11 -04:00 |
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059f450f1b
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add uppercase string utility function (for symmetry)
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2021-10-07 00:00:33 -04:00 |
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a9bccee7b2
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add utility to convert a string to lowercase
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2021-10-06 17:43:41 -04:00 |
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10a8a1b325
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add dlerror() call wrapper
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2021-10-06 08:59:51 -04:00 |
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6f2076a9b8
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update docs
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2021-10-05 22:11:19 -04:00 |
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9f2c5116fa
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make lammps and msi2lmp man pages use section 1
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2021-10-05 07:35:26 -04:00 |
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dd2b5b22d4
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fix saed/vtk does not use the overwrite option anywhere
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2021-10-04 17:22:58 -04:00 |
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69a8dfe4d9
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whitespace
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2021-10-02 18:12:32 -04:00 |
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2dcaa47b0e
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unfreeze versions of python packages used to build the documentation
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2021-10-02 16:55:19 -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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373dbcd9ae
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fix typo
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2021-10-02 16:40:05 -04:00 |
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35bef7b1d3
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unfreeze versions of python packages used to build the documentation
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2021-10-02 16:32:58 -04:00 |
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b5b2f5c03c
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additional tweak
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2021-09-30 17:11:49 -06:00 |
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f20bd63edf
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clarify doc pages for thermostatting fixes to mention regions
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2021-09-30 16:55:22 -06:00 |
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359aa1d805
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Merge branch 'master' into acks2_release
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2021-09-30 00:26:25 -04:00 |
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56cd66a6c3
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Merge branch 'master' into parse-logical-keyword
# Conflicts:
# src/H5MD/dump_h5md.cpp
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2021-09-29 23:05:59 -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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