Commit Graph

5901 Commits

Author SHA1 Message Date
4e03df2d19 Merge branch 'integration' into fix-flow-gauss 2016-08-28 06:55:12 -04:00
e1045851c0 incorporate bugfix and cleanup from lammps-icms and upstream 2016-08-28 06:52:03 -04:00
0192d2e359 Merge pull request #5 from akohlmey/initialize-pointers
enforce initializing pointers in constructors to NULL
2016-08-27 17:14:27 -06:00
3a1397dc7c sync with SVN 2016-08-27 17:11:16 -06:00
ef69bf8695 Merge pull request #11 from akohlmey/python3-for-make-py
Python 3 support for Make.py with Python 2.7 compatibility
2016-08-27 17:01:29 -06:00
6a4633af0a Merge pull request #12 from akohlmey/shell-script-paranoia
Disable custom locale and grep options in shell scripts
2016-08-27 16:59:43 -06:00
c80dad0028 new fix flow/gauss command 2016-08-27 16:25:01 -06:00
c570bf26e0 enforce C or POSIX locale in all shell scripts and turn of enforced global grep options 2016-08-27 01:57:45 -04:00
742c853775 need to ignore src/Make.py.last as well 2016-08-26 17:48:59 -04:00
9932b73227 Merge branch 'integration' into python3-for-make-py 2016-08-26 17:48:06 -04:00
90272f6c71 some more tweaks needed to improve python2/3 compatibility 2016-08-26 17:46:57 -04:00
8dd42789f8 correct for futurize not being able to fully convert functionality of the commands module 2016-08-26 17:15:39 -04:00
9be235d872 improved .gitignore files to show only changes in relevant folders and files 2016-08-26 14:34:42 -04:00
2beecd1e73 removal of doc/html/_sources and minor sync with SVN 2016-08-26 11:34:37 -06:00
74516b571e port Make.py so it is compatible with python 2.7 *and* python 3.x 2016-08-25 06:30:53 -04:00
7d43f349e6 Fixed initialization of arrays in computes 2016-08-24 17:26:04 -04:00
5e811f16e8 Fixed initialization of arrays in computes 2016-08-24 17:26:03 -04:00
fcd54f02e6 Fixed initialization of arrays in computes 2016-08-24 17:26:03 -04:00
1f3ef8e0ee Fixed initialization of arrays in computes 2016-08-24 17:26:03 -04:00
3e793d6eb7 Fixed initialization of arrays in computes 2016-08-24 17:26:03 -04:00
95dde5c041 Fixed initialization of arrays in computes 2016-08-24 17:26:02 -04:00
d09a85733b Fixed initialization of arrays in computes 2016-08-24 17:26:02 -04:00
0e7ce194eb Fixed initialization of arrays in computes 2016-08-24 17:26:02 -04:00
8750515cc4 changed dump.cpp back to the way it was 2016-08-23 15:38:38 -06:00
270b07b035 Merge branch 'integration' into small-bugfixes 2016-08-23 15:35:31 -06:00
abc5a32c8a gpu lib sync 2016-08-23 15:30:01 -06:00
0a3464eb30 test 2016-08-23 15:27:02 -06:00
50a82bb345 address uninitialized variable issues pointed out by valgrind/coverity 2016-08-22 15:49:33 -04:00
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
1383684048 fix bug in recent dump changes for -DLAMMPS_BIGBIG
(cherry picked from commit a507936878)
2016-08-22 14:36:47 -04:00
587bafdf2d Remove memory leak and unnecessary allocation
(cherry picked from commit c998f7b81f)
2016-08-22 14:36:46 -04:00
c8fe3799ed Add missing initialization
(cherry picked from commit 054256cf0a)
2016-08-22 14:36:46 -04:00
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
730e3cb4ac correct small (but harmless) logic error.
(cherry picked from commit ac6f4f8a56)
2016-08-22 14:34:43 -04:00
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
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
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
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
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
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
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
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
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
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
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
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
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
9a9897cd44 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15436 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-05 15:07:34 +00:00
0bffc1711e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15435 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-04 16:39:15 +00:00
a93e6e83ed git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15431 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-03 19:39:58 +00:00