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10676 Commits

Author SHA1 Message Date
Axel Kohlmeyer ff541e9a84 fix typo in compute omega/chunk usage example 2016-08-24 23:04:27 -04:00
Steve Plimpton e27196e91c doc files 2016-08-23 16:28:36 -06:00
Steve Plimpton 268fdab71b Merge branch 'small-bugfixes' into integration 2016-08-23 15:39:27 -06:00
Steve Plimpton 8750515cc4 changed dump.cpp back to the way it was 2016-08-23 15:38:38 -06:00
Steve Plimpton 270b07b035 Merge branch 'integration' into small-bugfixes 2016-08-23 15:35:31 -06:00
Steve Plimpton abc5a32c8a gpu lib sync 2016-08-23 15:30:01 -06:00
Steve Plimpton 0a3464eb30 test 2016-08-23 15:27:02 -06:00
athomps 55fe1f6b29 fixed integer division problem in python code snippet 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15486 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-08-22 22:35:23 +00:00
Axel Kohlmeyer 50a82bb345 address uninitialized variable issues pointed out by valgrind/coverity 2016-08-22 15:49:33 -04:00
Axel Kohlmeyer 5909bd5429 correct bug in tracking atom->nlocal vs. atom->nmax when allocating pbc enforcement buffers 
(cherry picked from commit 45a2dd36d0)
 2016-08-22 14:36:47 -04:00
Axel Kohlmeyer 1383684048 fix bug in recent dump changes for -DLAMMPS_BIGBIG 
(cherry picked from commit a507936878)
 2016-08-22 14:36:47 -04:00
Richard Berger 587bafdf2d Remove memory leak and unnecessary allocation 
(cherry picked from commit c998f7b81f)
 2016-08-22 14:36:46 -04:00
Richard Berger c8fe3799ed Add missing initialization 
(cherry picked from commit 054256cf0a)
 2016-08-22 14:36:46 -04:00
Axel Kohlmeyer 9babb7a4c2 fix indexing bugs in accessing compute and fix labels in fix ave/histo 
(cherry picked from commit 579c527718)
 2016-08-22 14:35:32 -04:00
Axel Kohlmeyer c88e9b46cf thread timing summare needs to be marked as preformatted 
(cherry picked from commit b745636a67)
 2016-08-22 14:35:11 -04:00
Axel Kohlmeyer 730e3cb4ac correct small (but harmless) logic error. 
(cherry picked from commit ac6f4f8a56)
 2016-08-22 14:34:43 -04:00
Axel Kohlmeyer 2a6561e52a add run 0 to USER-TALLY examples to enforce shake constraints on step 0 
(cherry picked from commit 433741564d)
 2016-08-22 14:32:47 -04:00
sjplimp 2fff78a78e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15484 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-20 22:43:04 +00:00
sjplimp d4891754c8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15483 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-20 22:42:24 +00:00
sjplimp ccf8cf20b3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15482 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-20 22:42:17 +00:00
sjplimp 6ccf4b4525 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15481 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-20 22:41:29 +00:00
sjplimp bfba361f65 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15480 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-20 22:22:00 +00:00
sjplimp b1829c107c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15479 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-13 15:03:16 +00:00
sjplimp 832f6a9f11 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15475 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-13 14:52:15 +00:00
sjplimp 6503590875 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15474 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-13 14:51:00 +00:00
sjplimp 2c9eef57d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15473 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-13 14:49:57 +00:00
sjplimp c03252f08d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15471 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-12 14:34:16 +00:00
sjplimp ff933712b7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15470 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-12 14:33:36 +00:00
sjplimp 112c98159b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15469 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-12 13:49:50 +00:00
sjplimp 639ea6c396 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-10 14:59:04 +00:00
sjplimp b3364ae943 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15467 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-10 14:46:16 +00:00
sjplimp 3349f7e143 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15466 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-09 23:25:06 +00:00
sjplimp de2b6cf6bd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15465 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-09 20:45:02 +00:00
sjplimp 6c8d3ed4e8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15463 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-09 14:10:55 +00:00
sjplimp 550be1d512 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15462 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-08 19:41:43 +00:00
sjplimp 563e069971 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15461 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-08 13:50:31 +00:00
sjplimp 17e8e9a9c9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15460 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-08 13:48:22 +00:00
sjplimp 056ff192c6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15459 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-08 13:47:55 +00:00
sjplimp 0029040f11 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15456 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-05 22:12:27 +00:00
sjplimp decd072117 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15455 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-05 20:58:38 +00:00
sjplimp 30d6007565 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15454 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-05 20:45:14 +00:00
sjplimp 390b492d08 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15453 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-05 18:28:23 +00:00
sjplimp 9a3b988b2b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15452 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-05 18:28:02 +00:00
athomps 36a0c644a9 Attempted to straighten out italics 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15451 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-08-05 18:21:12 +00:00
sjplimp 96a73d51cd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15450 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-05 18:16:10 +00:00
athomps 1780c86b86 Fixed error in ave/time version 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15449 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-08-05 17:53:52 +00:00
athomps 32c8c9d63e clarified energy contribution to minimization energy 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15448 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-08-05 16:27:48 +00:00
sjplimp 7541033246 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15445 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-05 15:50:41 +00:00
sjplimp 2d694f934e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15444 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-05 15:50:00 +00:00
sjplimp ce7581b869 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15442 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-05 15:38:38 +00:00