Commit Graph

78 Commits

Author SHA1 Message Date
f190647ab4 use snprintf() instead of sprintf() to avoid buffer overflows when copying style names 2019-06-21 21:23:20 -04:00
9202896e75 bug fix for compute cluster/atom when computing values used to update a dynamic group 2018-08-08 09:31:16 -06:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
8bbefb6187 more meaningful output for electron units. fix bug in time unit to fs conversion 2018-03-21 20:12:14 -04:00
60c3f3d64c use CHARMM energy conversion factor with new CHARMM pair styles 2017-06-22 09:15:15 -06:00
111d350a22 fix gcmc units change for chemical potential 2017-03-28 12:34:46 -06:00
b190abea39 sync with GH
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-08 20:20:32 +00:00
08ac3d54dd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15364 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-23 00:24:54 +00:00
04e401ae4b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-05-31 16:20:32 +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
56ee1b670b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14088 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-05 15:13:56 +00:00
050244f229 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13510 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 14:26:05 +00:00
25b928b276 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13282 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-24 15:34:07 +00:00
d3a7ef6598 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13088 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-10 16:18:21 +00:00
e59417b0f7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12979 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-20 23:25:40 +00:00
31731fd1ce git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12977 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-20 23:17:36 +00:00
0f6eb0877e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-14 16:30:03 +00:00
1a2996c6a6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12187 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-22 16:01:00 +00:00
4905f1eb51 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11684 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-03 14:52:16 +00:00
3862545817 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11640 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-18 14:55:05 +00:00
5bdd5c3c25 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11627 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-12 16:37:16 +00:00
83534f0802 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10993 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-11-07 20:30:02 +00:00
e3b479a4cd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9896 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-23 17:34:29 +00:00
96f101c787 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8425 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-28 23:53:36 +00:00
7a2e00bbf1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8242 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-08 16:00:32 +00:00
1a2e242f71 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8240 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-07 23:52:50 +00:00
441c71f367 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8237 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-07 23:51:09 +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
f46eb9dedb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8225 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-05 23:48:09 +00:00
8af0a6a14c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8188 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-25 22:14:42 +00:00
aa8aeb0294 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8164 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-23 16:24:30 +00:00
3450c008aa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7850 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-28 17:29:18 +00:00
52568d2738 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7849 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-28 17:19:20 +00:00
b2e7c4970f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7846 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-28 00:19:46 +00:00
60f3287584 Adding force->angstrom and force->qelectron to force.h and update.cpp for all unit systems. Not using these quantities all at, yet.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7836 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-24 18:32:22 +00:00
69b7787ff2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7228 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-11-11 16:52:58 +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
9eb5aebed9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6795 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-25 15:30:01 +00:00
aedbb28b6c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-30 20:10:18 +00:00
0a1b02b821 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6374 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-13 21:58:07 +00:00
029f0ee874 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6339 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-08 20:23:48 +00:00
d9824c7583 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6305 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-07 15:25:20 +00:00
5bf395f4d7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6263 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-31 22:36:53 +00:00
0ca2e3b389 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6217 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-26 22:00:16 +00:00
e97e40698a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6209 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-23 14:04:44 +00:00
3ae193256b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6196 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-20 22:59:15 +00:00
5a5cfcc81b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6188 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-20 17:33:20 +00:00
ab5508e3c8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6185 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-20 16:35:26 +00:00
f99f923320 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6179 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-20 16:16:34 +00:00
9879ce34aa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6178 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-20 16:08:57 +00:00