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7b943948ea
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Point users to the LAMMPS GitHub Releases page for downloading archives
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2021-02-16 06:51:50 -05:00 |
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d85a5e3290
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Remove OCL_TUNE option in CMake
The GPU package now auto-detects these settings.
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2021-02-16 14:57:10 -05:00 |
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e2c32d12a4
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Feb2021 GPU Package Update - Documentation Files
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2021-02-15 11:07:43 -08:00 |
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d256614c9f
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Fix docs after PR #2592
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2021-02-15 13:19:25 -05:00 |
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74fe20b9a9
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Update affiliations
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2021-02-15 15:05:40 +01:00 |
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6571f238f6
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Merge branch 'master' into fep
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2021-02-15 14:03:10 +01:00 |
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7da64cba89
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fix issues with multiple uses of create_bonds command
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2021-02-12 06:15:05 -06:00 |
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f705d49d45
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reformat docs, correct spelling errors, and update false positives list
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2021-02-11 09:17:14 -05:00 |
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c583ad6dc4
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Merge branch 'master' into charge_regulation2
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2021-02-11 07:53:29 -05:00 |
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8eb79cf329
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Merge pull request #2596 from lammps/create-bonds-bugs
fix issues with multiple uses of create_bonds command
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2021-02-10 20:35:55 -05:00 |
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cb7e68644f
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fix issues with multiple uses of create_bonds command
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2021-02-10 16:21:25 -07:00 |
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11d99d9513
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Merge pull request #2545 from akohlmey/citation-refactor
Refactor citation handling in LAMMPS
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2021-02-10 18:19:21 -05:00 |
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6adcb4f5b9
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Merge pull request #2594 from lammps/voigt-doc
Voigt documentation
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2021-02-10 15:08:11 -05:00 |
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60113a6ddf
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Applied edits/optimizations suggested by Axel. Further simplifified/fixed MC acceptance equations, few clarifications to documentation.
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2021-02-10 13:24:30 -06:00 |
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761527e563
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clarified Voigt ordering and non-Voigt ordering for virial[6]
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2021-02-10 09:55:28 -07:00 |
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11341a5b66
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enforce documented Python version requirement for MLIAP with Python
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2021-02-10 08:57:14 -05:00 |
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418135667f
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address a whole bunch of spelling issues that suddenly popped up.
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2021-02-09 12:38:46 -05:00 |
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653c296246
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document __version__ module member and version check
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2021-02-09 12:29:14 -05:00 |
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e054b6c1d2
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reformat and improve grammar
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2021-02-09 09:49:45 -05:00 |
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12e8b9eb8b
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include references to USER-OMP accelerator variant
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2021-02-09 09:40:23 -05:00 |
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29eb700615
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whitespace
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2021-02-09 08:27:29 -05:00 |
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0687ac79c6
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fix LaTeX typesetting of equation that was broken with MathJax and pdfLaTeX
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2021-02-09 08:27:07 -05:00 |
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69f5d840df
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New pair style lj/relres
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2021-02-09 07:29:38 -05:00 |
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1b48ac0eaf
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Merge branch 'master' into collected-small-changes
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2021-02-08 22:46:21 -05:00 |
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d2b3677d6f
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whitespace fixes
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2021-02-08 21:45:58 -05:00 |
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d42a165ccf
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Merge branch 'master' into collected-small-changes
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2021-02-08 15:33:22 -05:00 |
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33939a0e26
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Merge branch 'master' into thermo-energy
# Conflicts:
# doc/src/fix_ti_spring.rst
# src/RIGID/fix_rigid_small.cpp
# src/fix_langevin.cpp
# src/fix_temp_berendsen.cpp
# src/fix_temp_csld.cpp
# src/fix_temp_csvr.cpp
# src/fix_temp_rescale.cpp
# src/thermo.cpp
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2021-02-08 15:24:29 -05:00 |
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a3a84c4493
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Merge pull request #2584 from jrgissing/bond-react_create_atoms
Bond/react: create atoms
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2021-02-08 10:44:36 -05:00 |
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8134296311
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fix typo
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2021-02-07 09:39:07 -05:00 |
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4421843604
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fixed Latex doc error #2
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2021-02-05 19:00:33 -06:00 |
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2f5588733b
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fixed doc Latex error
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2021-02-05 18:47:04 -06:00 |
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c4ef85ba22
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Updating to master
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2021-02-05 17:01:32 -07:00 |
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c94a740b4e
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Updating examples
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2021-02-05 16:43:52 -07:00 |
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9995bef911
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file permissions
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2021-02-05 17:50:23 -05:00 |
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606b33ea03
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Added fix_charge_regulation source code and documentation.
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2021-02-05 16:05:37 -06:00 |
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960713be3b
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make recent change to fix ti/spring docs use mathjax
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2021-02-05 17:01:28 -05:00 |
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c74c3b3f22
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update docs for mention CUDPP and MPS support with conventional make
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2021-02-05 16:50:59 -05:00 |
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6e11dee2f1
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Merge branch 'master' into citation-refactor
# Conflicts:
# doc/src/fix_bond_react.rst
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2021-02-05 13:42:23 -05:00 |
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0f07215a2b
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add utils::strdup() convenience function
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2021-02-04 17:00:02 -05:00 |
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e5ead83c8f
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near->overlap keyword update
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2021-02-04 15:33:45 -05:00 |
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1e8d57c207
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Merge pull request #120 from lammps/master
rebase
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2021-02-04 13:02:09 -07:00 |
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2bc2140ed9
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Merge branch 'master' of https://github.com/lammps/lammps into lammps-master
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2021-02-04 14:58:52 -05:00 |
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49ea762300
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Merge pull request #2571 from akohlmey/arg-info-class
Add ArgInfo class for simpler processing of compute, fix, and variable references
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2021-02-04 14:32:34 -05:00 |
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de5ba601f2
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Update fix_bond_react.rst
manual rebase
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2021-02-04 13:41:58 -05:00 |
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8574a417fb
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Merge pull request #2579 from lammps/fix-ti-spring-doc
Clarify one of the outputs of fix ti/spring
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2021-02-04 05:50:35 -05:00 |
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04a46bfd99
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Merge remote-tracking branch 'github/master' into arg-info-class
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2021-02-03 17:43:49 -05:00 |
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1ee27e2bc2
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clarify one of the outputs of fix ti/spring
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2021-02-03 15:01:35 -07:00 |
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852e4efc6f
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Updating documentation/examples, patching comm_modify cutoff/multi command
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2021-02-02 14:50:30 -07:00 |
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85539765d0
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update docs about thermo_modify flush
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2021-02-02 11:37:08 -05:00 |
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c2c8c5e493
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Merge remote-tracking branch 'github/master' into arg-info-class
# Conflicts:
# src/compute_chunk_atom.cpp
# src/compute_chunk_spread_atom.cpp
# src/compute_reduce.cpp
# src/compute_reduce_region.cpp
# src/compute_slice.cpp
# src/fix_ave_atom.cpp
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2021-02-02 11:33:01 -05:00 |
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