Commit Graph

45 Commits

Author SHA1 Message Date
02e6ce32ea Add Kokkos version of minimize 2019-08-28 09:41:15 -06:00
13d4fbdcfb clean up includes in QEQ, REPLICA, and RIGID packages 2019-07-07 16:27:59 -04:00
416911aa7e more rearranging of include file order to put implementation headers first 2019-07-03 21:57:39 -04:00
9c27548a5c more replacing of sprintf() with snprintf() 2018-09-06 10:45:48 -04:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
cf3887c5e0 default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
argument for Integrate::setup() made explicit
2018-02-22 07:53:58 -05:00
53e4ee4f2d need to re-init timers after initial setup 2017-09-25 23:20:42 -04:00
6897cc803f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15671 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-09-28 22:29:06 +00:00
f511c177c6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15670 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-09-28 14:37:45 +00:00
4e199dd5bd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14424 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-01-12 00:12:15 +00:00
354e20f431 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
9a878cdd67 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-21 18:29:37 +00:00
ce59e32d1c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-28 20:00:56 +00:00
53d8975ee4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12829 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-12-13 00:42:42 +00:00
21ac09ad9c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-18 00:17:02 +00:00
4833f14be8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11565 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-02-14 16:31:23 +00:00
dcf9c93db0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11397 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-30 20:10:14 +00:00
a1ef01fc1a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-14 16:17:20 +00:00
b49a5519f2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10285 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 15:10:07 +00:00
b0007d45b7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-29 21:27:42 +00:00
f5cd343be8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9755 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-04-06 23:09:20 +00:00
afac9a0f14 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9754 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-04-06 23:08:09 +00:00
09836f0040 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8804 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-09-20 15:51:29 +00:00
47552d4033 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-25 15:16:20 +00:00
66c5617afb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8395 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-25 22:03:31 +00:00
ef9e700545 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-06 22:47:51 +00:00
e8308edb15 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8088 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 16:35:19 +00:00
4672eeba1a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7908 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-03-05 15:42:57 +00:00
4f48544d41 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7379 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-16 21:15:49 +00:00
16a2afc642 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7310 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-08 17:56:37 +00:00
19e8c92a90 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-23 18:06:55 +00:00
161a6cb788 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5846 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-03-26 19:27:48 +00:00
1f2a7add78 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-03-26 00:50:29 +00:00
3a720230d9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5724 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-23 15:25:00 +00:00
f82b7b7d4d Tweaked log output again
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5576 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-25 05:17:47 +00:00
5e7176d18d Tweaked event output
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5573 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-22 01:10:59 +00:00
9ab13c62a5 Tweaked event output
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5572 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-22 01:04:38 +00:00
d5b494397e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5547 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-14 15:53:06 +00:00
60b4b9eaa7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5526 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-11 16:27:24 +00:00
82ec94916d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-11 00:41:00 +00:00
140cdf9485 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5504 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-07 21:42:19 +00:00
3cd5ef56fc switched timestep variables from double to int
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5497 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-06 15:50:14 +00:00
bb98ae8294 Eliminate fix_event override warning
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5491 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-05 18:27:11 +00:00
3366b5b907 Added %lu format strings for natoms
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5488 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-05 17:41:41 +00:00
c69f3aea57 Added tad example
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5475 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-05 00:23:34 +00:00