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dd39bc44ee
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Add compute_pressure_cylinder documentation
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2018-09-20 09:16:58 -04:00 |
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5aeba421bb
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Add compute_pressure_cylinder .cpp and .h files
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2018-09-20 09:15:43 -04:00 |
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37201beda5
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Fixed folder structure
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2018-09-20 00:04:07 -04:00 |
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c705e8d0e6
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renamed files for LAMMPS build system compatibility
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2018-09-19 20:46:48 -04:00 |
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cda89283aa
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warn more loudly about REAX and MEAM going away soon
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2018-09-18 22:13:17 -04:00 |
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c2758a0b55
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Merge pull request #1126 from lammps/patch-18-sep-2018
patch 18Sep18
patch_18Sep2018
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2018-09-18 21:50:30 -04:00 |
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9c58834af2
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Merge pull request #1127 from akohlmey/reax-bonds-typo
fix typo in gzip support for fix reax/bonds
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2018-09-18 18:05:57 -04:00 |
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4bfac61b1a
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fix typo in gzip support for fix reax/bonds
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2018-09-18 17:41:02 -04:00 |
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8dff5fd5d7
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patch 18Sep18
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2018-09-18 17:24:10 -04:00 |
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e9ed95c2db
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Merge pull request #1108 from akohlmey/fix-sprintf-buffer-overflows
Avoid more buffer overflows due to using snprintf() on fixed size buffers
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2018-09-18 16:57:10 -04:00 |
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33e33048bf
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Merge pull request #1125 from athomps/sna-atom-leakfix
The sna*/atom computes were not destroying SNA objects. Fixed.
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2018-09-18 15:50:17 -04:00 |
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d753c51c45
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The sna*/atom computes were not destroying SNA objects. Fixed.
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2018-09-17 19:44:32 -06:00 |
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e2293cc7df
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Merge pull request #1119 from lammps/doc-clarify
doc page clarifications
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2018-09-17 06:10:25 -04:00 |
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0c287a55cd
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Merge pull request #1092 from RomainVermorel/master
New stress/mop and stress/mop/profile computes for USER-MISC
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2018-09-17 05:16:42 -04:00 |
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5f6b5c5400
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fix typo
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2018-09-17 05:11:59 -04:00 |
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494b149272
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fix typo
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2018-09-17 05:10:56 -04:00 |
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39ee7876c4
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fix typo
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2018-09-17 05:09:23 -04:00 |
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8fa80081df
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fix typo
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2018-09-17 05:08:22 -04:00 |
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e14db00d52
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doc link adjustments
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2018-09-14 17:31:33 -06:00 |
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7054800932
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Merge branch 'master' into master
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2018-09-12 22:13:43 +03:00 |
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01beaf38a1
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small modifications for potential #839
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2018-09-12 21:51:57 +03:00 |
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83b6d6ae96
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small modifications of potential #839
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2018-09-12 17:47:16 +03:00 |
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6ae4bdead5
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Merge pull request #1089 from lammps/spread
2 new computes: chunk/spread/atom and reduce/chunk
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2018-09-11 21:21:02 -04:00 |
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1f5885fc45
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Merge pull request #1099 from jrgissing/bond/react-efficient-competing_reactions
bond/react: efficient competing reactions
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2018-09-11 21:18:41 -04:00 |
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92b508f14c
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Merge pull request #1097 from lammps/localvars
add variable option to compute bond/angle/dihedral local
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2018-09-11 21:18:15 -04:00 |
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b7c75b6c4e
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Added compute for Polyhedral Template Matching
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2018-09-11 16:41:44 -04:00 |
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c3ece2f086
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typo in fix relax/box doc page
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2018-09-11 12:44:35 -06:00 |
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7f328d3f79
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cite a good book on SLLOD thermostatting for molecular systems
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2018-09-11 11:49:46 -06:00 |
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983e8bb110
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doc page clarifications
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2018-09-11 11:36:37 -06:00 |
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0305cca1df
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make certain that *_freq flags are initialized. use -1 instead of 0 to avoid division by zero
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2018-09-10 22:47:45 -04:00 |
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3d2c731709
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avoid class initialization order warnings
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2018-09-10 22:32:56 -04:00 |
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02b653c0ce
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correct end of itemized list to be compatible with txt2rst conversion
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2018-09-10 22:22:42 -04:00 |
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a33f45f176
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Merge pull request #1112 from akohlmey/rename-cdeam-omp
Rename files for pair style eam/cd/omp in USER-OMP
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2018-09-10 15:16:10 -04:00 |
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a903e64947
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Merge pull request #1114 from junghans/cmake_eigen3
cmake: fix Eigen3 detection
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2018-09-10 10:45:20 -04:00 |
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46b87518b8
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cmake: use NO_MODULE for Eigen3
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2018-09-10 00:35:55 -04:00 |
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45682f8695
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Merge pull request #1115 from junghans/cmake_globfix
cmake: fix globbing of emacs files
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2018-09-09 22:15:44 -04:00 |
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2faa34b2be
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Merge pull request #1105 from rbberger/truncate-file-path
Avoid buffer overflow during errors with long filenames
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2018-09-09 01:30:14 -04:00 |
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075d366051
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Merge pull request #1116 from akohlmey/correct-doc-build
Correct multiple issues in manual build
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2018-09-09 01:28:29 -04:00 |
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3b073de357
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make it less likely to have people get confused by Eigen3_DIR
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2018-09-09 01:21:37 -04:00 |
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6f379f54d6
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Merge pull request #1117 from lammps/doc-tweak
small doc page changes, format and content on doc page tarballs
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2018-09-07 23:48:46 -04:00 |
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e325c78628
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Merge pull request #1101 from Pakketeretet2/bugfix-pair-morse-smooth-linear
Bugfix pair morse smooth linear
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2018-09-07 23:38:16 -04:00 |
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b488f1072e
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recent package links
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2018-09-07 14:22:38 -06:00 |
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0384ef8967
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more tweaks to client/server doc pages
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2018-09-07 14:00:39 -06:00 |
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25907c856e
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small doc page changes, format and content on doc page tarballs
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2018-09-07 09:56:03 -06:00 |
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861a7acdf0
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cmake: fix globbing in some more places
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2018-09-07 06:40:06 -06:00 |
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f7cdf2a7b8
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Merge pull request #26 from lammps/master
rebase
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2018-09-06 21:37:52 -06:00 |
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aea148a86a
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Merge pull request #1100 from rbberger/info-command-refactoring
Avoid unnecessary sorting in print_columns
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2018-09-06 22:55:56 -04:00 |
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dd64c063cf
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various fixes for the manual to address breakage from merging MESSAGE and USER-SCAFACOS packages
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2018-09-06 22:28:20 -04:00 |
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44fcdc4024
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update reference examples with versions that do not vary by MPI rank count
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2018-09-06 21:20:47 -04:00 |
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947f574503
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Merge branch 'master' into compute_mop
# Conflicts:
# cmake/CMakeLists.txt
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2018-09-06 21:13:42 -04:00 |
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