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9cf99ef479
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Merge pull request #806 from vishalkenchan/new_pair_lj_cut_coul_wolf
Lennard-Jones with Coulomb interactions accounted through Wolf sum
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2018-02-20 11:55:37 -07:00 |
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7ec4a5818d
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add USER-OMP versions of lj/cut/coul/wolf
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2018-02-18 16:38:50 +01:00 |
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65870843a5
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fix typo in stride2() description in variable command docs reported by Jerome Guterl
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2018-02-18 15:37:35 +01:00 |
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c864e55adb
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Lennard-Jones potential with Coulomb interactions accounted through Wolf summations
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2018-02-18 14:20:59 +01:00 |
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3d12cff8a5
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Merge branch 'patch-1' of https://github.com/evoyiatzis/lammps into collected-small-changes
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2018-02-16 10:55:25 +01:00 |
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a30ede80a6
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avoid triggering misformatting of manual overview table with txt2html
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2018-02-15 12:12:19 +01:00 |
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2aa693c46c
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update authors list and packages from http://lammps.sandia.gov/authors.html
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2018-02-15 05:06:54 -05:00 |
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69f813b22e
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fix up formatting of tutorials for PDF manual
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2018-02-13 16:41:23 +01:00 |
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b3693f891b
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different style of AtC page headers that works well with html and pdf
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2018-02-13 16:40:50 +01:00 |
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1a213363f1
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add group style to create an empty group directly
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2018-02-13 14:54:30 +01:00 |
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60f411d655
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update manual content list for recent updates
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2018-02-13 12:47:36 +01:00 |
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7b551bb594
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add a short command overview page for the PDF manual only
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2018-02-13 12:47:05 +01:00 |
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b0d8fb2170
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promote header levels for better formatting in pdf manual
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2018-02-13 12:43:56 +01:00 |
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44faa8e9f5
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insert new toplevel text into USER-ATC docs, change header levels.
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2018-02-13 12:43:32 +01:00 |
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3ceec36b84
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improve format
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2018-02-13 12:38:48 +01:00 |
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f890cdfb9e
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correct formatting in fix atc docs
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2018-02-13 11:44:07 +01:00 |
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3a909e15ae
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remove non-functional doxygen generated navigation header from AtC doc files
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2018-02-13 11:43:52 +01:00 |
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a04a975d3a
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add large nylon example for parallel validation, reformat doc page
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2018-02-11 17:35:47 -07:00 |
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7e78738c73
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patch 5Feb18
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2018-02-09 14:26:21 -07:00 |
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3528f9ca27
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fix bugs in documentation and implementation of atom style mdpd
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2018-02-09 15:19:01 +01:00 |
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996c62f4e0
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fix bond/react: generalized classical chemical reactions
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2018-02-07 21:58:05 -07:00 |
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49745968f2
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make link unambiguous so sphinx is not confused
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2018-02-06 16:57:27 +01:00 |
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1d403b2aa3
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Added warning to discourage use of group all and fixed some segfault cases
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2018-02-05 13:29:14 -07:00 |
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401bfc52e1
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Merge pull request #798 from akohlmey/always-use-internal-xdr
Replace OS provided XDR support with bundled code
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2018-02-02 14:47:40 -07:00 |
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7441b062e9
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Merge pull request #792 from pastewka/18_dump_nc1
Dumping to multiple files failed with an error message complaining about a missing 'append yes' option.
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2018-02-02 14:45:52 -07:00 |
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10d80ba9c3
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Merge pull request #791 from akohlmey/charmm-cmap-docs-reference
Update CMAP related docs and rebuild example input decks
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2018-02-02 14:44:58 -07:00 |
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e4a1826dee
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Merge pull request #783 from numericalfreedom/lammps-doxygen
Added double quotes to a word in Section_tools.txt file
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2018-02-02 14:41:56 -07:00 |
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160edc9532
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Merge pull request #782 from hheenen/user-mofff-contribution
User mofff contribution
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2018-02-02 14:41:28 -07:00 |
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553b3ff69a
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Merge pull request #778 from athomps/fix_gcmc_segfault_fix
Fixed recent segfault in fix gcmc and added mcmoves keyword
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2018-02-02 14:40:14 -07:00 |
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4af14becb5
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Merge pull request #710 from rpleite/add-pair-ufm
Add the UFM pair potential - (GPU/OPT/OMP)
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2018-02-02 14:38:28 -07:00 |
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85fdf9eaba
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make links to papers unique across files
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2018-02-02 10:10:27 +01:00 |
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2ff278defa
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fully integrate ufm into documentation
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2018-02-02 10:02:44 +01:00 |
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c3d1cee5f9
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try to use OS-provided (and obsoleted) RPC headers for XDR. always use bundled code
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2018-02-02 09:23:02 +01:00 |
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b70149e86a
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include added docpages in toctrees for sphinx
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2018-02-01 18:50:25 +01:00 |
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080ce422ae
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correct incorrect reference
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2018-02-01 18:40:28 +01:00 |
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cc54848f7b
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adapt to current manual conventions
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2018-02-01 18:40:17 +01:00 |
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9cf4ac8b7c
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DOC: Added netcdf and netcdf/mpiio to dump style supporting atom attributes.
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2018-01-28 14:24:28 +01:00 |
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cf8dae5ef3
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explain position of fix cmap command in input for data and restart files
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2018-01-28 06:20:03 -05:00 |
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ba68548e38
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clarify ch2lmp commands purpose in tools section
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2018-01-28 06:19:33 -05:00 |
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13c08225ed
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per-atom property dynamic group
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2018-01-23 00:16:51 -07:00 |
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e72faf3d7f
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Added double quotes to a word in Section_tools.txt file in order to activate
Sphinx hyperlink.
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2018-01-21 20:55:04 +01:00 |
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f7e2bf239f
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Added MOF-FF src, doc and example files
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2018-01-21 11:40:48 +01:00 |
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9bb7f1ddf6
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Fixed recent segfault in fix gcmc and added mcmoves keyword
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2018-01-17 13:45:15 -07:00 |
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5e9d257ec2
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patch 17Jan18
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2018-01-17 13:00:48 -07:00 |
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1b91c0eab0
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fix typo in docs resulting in broken link
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2018-01-16 21:01:25 -05:00 |
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f2c0c4a7d1
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Merge branch 'lammps-tools-doxygen' of https://github.com/numericalfreedom/lammps into lammps-tools-doxygen
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2018-01-16 18:39:08 +01:00 |
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e07a6d1e34
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Merge pull request #768 from akohlmey/collected-doc-fixes
collected documentation fixes
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2018-01-16 09:03:45 -07:00 |
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57dd6c78c1
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Merge pull request #761 from stanmoore1/kk_snap
Kokkos version of Pair SNAP and ZBL
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2018-01-16 09:00:52 -07:00 |
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c8b5d83cc7
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mention tool/doxygen folder in tools section and refer to README file
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2018-01-15 10:43:30 -05:00 |
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61ebf6265a
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address some formatting/markup issues reported by Nandor Tamaskovics
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2018-01-12 12:50:02 -05:00 |
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