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15739 Commits

Author SHA1 Message Date
Axel Kohlmeyer 918030bf1c Merge branch 'master' of https://github.com/oywg11/lammps into ilp-update 2018-09-24 10:29:08 -04:00
Axel Kohlmeyer de010551cf
Merge pull request #1128 from akohlmey/complain-reax-meam 
Warn more loudly about REAX and MEAM going away soon
 2018-09-23 10:35:28 -04:00
pmla 6e546ef5af added ptm namespace 2018-09-20 14:20:58 -04:00
ckadding dd39bc44ee
Add compute_pressure_cylinder documentation 2018-09-20 09:16:58 -04:00
ckadding 5aeba421bb
Add compute_pressure_cylinder .cpp and .h files 2018-09-20 09:15:43 -04:00
pmla 37201beda5 Fixed folder structure 2018-09-20 00:04:07 -04:00
pmla c705e8d0e6 renamed files for LAMMPS build system compatibility 2018-09-19 20:46:48 -04:00
Axel Kohlmeyer cda89283aa warn more loudly about REAX and MEAM going away soon 2018-09-18 22:13:17 -04:00
Axel Kohlmeyer c2758a0b55
Merge pull request #1126 from lammps/patch-18-sep-2018 
patch 18Sep18
 2018-09-18 21:50:30 -04:00
Axel Kohlmeyer 9c58834af2
Merge pull request #1127 from akohlmey/reax-bonds-typo 
fix typo in gzip support for fix reax/bonds
 2018-09-18 18:05:57 -04:00
Axel Kohlmeyer 4bfac61b1a fix typo in gzip support for fix reax/bonds 2018-09-18 17:41:02 -04:00
Axel Kohlmeyer 8dff5fd5d7 patch 18Sep18 2018-09-18 17:24:10 -04:00
Axel Kohlmeyer e9ed95c2db
Merge pull request #1108 from akohlmey/fix-sprintf-buffer-overflows 
Avoid more buffer overflows due to using snprintf() on fixed size buffers
 2018-09-18 16:57:10 -04:00
Axel Kohlmeyer 33e33048bf
Merge pull request #1125 from athomps/sna-atom-leakfix 
The sna*/atom computes were not destroying SNA objects. Fixed.
 2018-09-18 15:50:17 -04:00
Aidan Thompson d753c51c45 The sna*/atom computes were not destroying SNA objects. Fixed. 2018-09-17 19:44:32 -06:00
Axel Kohlmeyer e2293cc7df
Merge pull request #1119 from lammps/doc-clarify 
doc page clarifications
 2018-09-17 06:10:25 -04:00
Axel Kohlmeyer 0c287a55cd
Merge pull request #1092 from RomainVermorel/master 
New stress/mop and stress/mop/profile computes for USER-MISC
 2018-09-17 05:16:42 -04:00
Axel Kohlmeyer 5f6b5c5400
fix typo 2018-09-17 05:11:59 -04:00
Axel Kohlmeyer 494b149272
fix typo 2018-09-17 05:10:56 -04:00
Axel Kohlmeyer 39ee7876c4
fix typo 2018-09-17 05:09:23 -04:00
Axel Kohlmeyer 8fa80081df
fix typo 2018-09-17 05:08:22 -04:00
Steve Plimpton e14db00d52 doc link adjustments 2018-09-14 17:31:33 -06:00
oywg11 7054800932
Merge branch 'master' into master 2018-09-12 22:13:43 +03:00
oywg11 01beaf38a1 small modifications for potential #839 2018-09-12 21:51:57 +03:00
oywg11 83b6d6ae96 small modifications of potential #839 2018-09-12 17:47:16 +03:00
Richard Berger 6ae4bdead5
Merge pull request #1089 from lammps/spread 
2 new computes: chunk/spread/atom and reduce/chunk
 2018-09-11 21:21:02 -04:00
Richard Berger 1f5885fc45
Merge pull request #1099 from jrgissing/bond/react-efficient-competing_reactions 
bond/react: efficient competing reactions
 2018-09-11 21:18:41 -04:00
Richard Berger 92b508f14c
Merge pull request #1097 from lammps/localvars 
add variable option to compute bond/angle/dihedral local
 2018-09-11 21:18:15 -04:00
pmla b7c75b6c4e Added compute for Polyhedral Template Matching 2018-09-11 16:41:44 -04:00
Steve Plimpton c3ece2f086 typo in fix relax/box doc page 2018-09-11 12:44:35 -06:00
Steve Plimpton 7f328d3f79 cite a good book on SLLOD thermostatting for molecular systems 2018-09-11 11:49:46 -06:00
Steve Plimpton 983e8bb110 doc page clarifications 2018-09-11 11:36:37 -06:00
Axel Kohlmeyer 0305cca1df make certain that *_freq flags are initialized. use -1 instead of 0 to avoid division by zero 2018-09-10 22:47:45 -04:00
Axel Kohlmeyer 3d2c731709 avoid class initialization order warnings 2018-09-10 22:32:56 -04:00
Axel Kohlmeyer 02b653c0ce correct end of itemized list to be compatible with txt2rst conversion 2018-09-10 22:22:42 -04:00
Axel Kohlmeyer a33f45f176
Merge pull request #1112 from akohlmey/rename-cdeam-omp 
Rename files for pair style eam/cd/omp in USER-OMP
 2018-09-10 15:16:10 -04:00
Richard Berger a903e64947
Merge pull request #1114 from junghans/cmake_eigen3 
cmake: fix Eigen3 detection
 2018-09-10 10:45:20 -04:00
Richard Berger 46b87518b8 cmake: use NO_MODULE for Eigen3 2018-09-10 00:35:55 -04:00
Richard Berger 45682f8695
Merge pull request #1115 from junghans/cmake_globfix 
cmake: fix globbing of emacs files
 2018-09-09 22:15:44 -04:00
Axel Kohlmeyer 2faa34b2be
Merge pull request #1105 from rbberger/truncate-file-path 
Avoid buffer overflow during errors with long filenames
 2018-09-09 01:30:14 -04:00
Axel Kohlmeyer 075d366051
Merge pull request #1116 from akohlmey/correct-doc-build 
Correct multiple issues in manual build
 2018-09-09 01:28:29 -04:00
Axel Kohlmeyer 3b073de357 make it less likely to have people get confused by Eigen3_DIR 2018-09-09 01:21:37 -04:00
Richard Berger 6f379f54d6
Merge pull request #1117 from lammps/doc-tweak 
small doc page changes, format and content on doc page tarballs
 2018-09-07 23:48:46 -04:00
Richard Berger e325c78628
Merge pull request #1101 from Pakketeretet2/bugfix-pair-morse-smooth-linear 
Bugfix pair morse smooth linear
 2018-09-07 23:38:16 -04:00
Steve Plimpton b488f1072e recent package links 2018-09-07 14:22:38 -06:00
Steve Plimpton 0384ef8967 more tweaks to client/server doc pages 2018-09-07 14:00:39 -06:00
Steve Plimpton 25907c856e small doc page changes, format and content on doc page tarballs 2018-09-07 09:56:03 -06:00
Christoph Junghans 861a7acdf0 cmake: fix globbing in some more places 2018-09-07 06:40:06 -06:00
Jacob Gissinger f7cdf2a7b8
Merge pull request #26 from lammps/master 
rebase
 2018-09-06 21:37:52 -06:00
Richard Berger aea148a86a
Merge pull request #1100 from rbberger/info-command-refactoring 
Avoid unnecessary sorting in print_columns
 2018-09-06 22:55:56 -04:00