Commit Graph

101 Commits

Author SHA1 Message Date
06a57dd659 use ev_unset for all pair styles 2019-03-13 17:49:16 +01:00
1991ff6c48 consistent formatting: replace "if( XXX)" with "if (XXX)" 2018-12-29 17:08:12 -05:00
b34dac41c2 port documentation spelling fixes to comments or strings in source code. 2018-11-19 16:15:24 -05:00
1fc3b4618c remove dead code and silence compiler warnings 2018-11-15 16:50:56 -05:00
9c27548a5c more replacing of sprintf() with snprintf() 2018-09-06 10:45:48 -04:00
71bc72ec13 formatting: add additional space to avoid bad syntax highlights 2018-08-27 22:13:43 -04:00
92a4dc25b1 Fix unused params in packages (#1076) 2018-08-24 10:42:08 -06:00
479cc9424d C include 2018-06-14 13:57:10 +02:00
673202d05f Bugfix for pair_nm and tail correction 2018-06-14 13:44:55 +02:00
71e1867dd2 move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class 2018-05-10 00:50:20 -04:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
5221ac2d55 add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
e9ac8ba01e cleanup embedded or trailing tabs 2018-03-16 13:21:54 -04:00
59dbb49cf9 remove trailing whitespace 2018-03-16 12:37:27 -04:00
ee862d8bf5 replace leading tabs 2018-03-16 12:34:33 -04:00
911529ab24 correct typo 2018-02-21 08:43:33 +01:00
a5a47899a3 make XDR support for dump style xtc compile on MacOSX 2018-02-20 22:10:21 +01:00
c3d1cee5f9 try to use OS-provided (and obsoleted) RPC headers for XDR. always use bundled code 2018-02-02 09:23:02 +01:00
e196a2b9e5 import changes to various fixes by aidan to include virial contributions 2017-09-11 22:24:06 -04:00
4ec07422f0 avoid division by zero when using cutoff 0.0 with pair_modify shift yes 2017-07-14 23:33:00 -04:00
51fc386e72 correct the inner loop range for resetting cutoffs when redefining a pair style
this was reported by frank uhlig on lammps-users for lj/cut, but it applies to many more pair styles
2017-05-16 00:26:18 -04:00
44841f6891 fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof 2017-03-23 15:31:27 -06:00
7dd60f9737 Fix typos in src files 2017-03-05 21:03:40 -05:00
8756a1017d Kokkos updates by Stan 2016-11-17 08:58:22 -07:00
1ff75eaba2 Initialized pointers in MISC and MOLECULE 2016-11-07 17:15:48 +01:00
35753b8f08 add error location propagation to force->bounds() and force->boundsbig() 2016-10-26 15:53:02 -04:00
a8d7ca367d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15564 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-09-10 20:19:52 +00:00
751786364d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15367 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-23 16:11:53 +00:00
a2782baa64 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15324 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-15 22:47:23 +00:00
d55f968432 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
8330ef7f7e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15182 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-16 15:46:02 +00:00
876b033ea8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-05-31 16:33:07 +00:00
19122f203e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14902 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-28 14:49:49 +00:00
83796feb88 Fixing bug in fix efield
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14802 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-04 22:24:03 +00:00
70aa37e4c8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-15 15:26:57 +00:00
9e20448834 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14582 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-08 16:18:20 +00:00
e72cef0c3a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14421 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-01-11 22:00:29 +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
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
f842d1ba41 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13924 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-20 15:44:15 +00:00
bd37304ade git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13332 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-30 23:17:06 +00:00
84a5ec39ec git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-23 23:30:50 +00:00
00834f6d84 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13127 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-19 18:23:31 +00:00
86daf16069 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-28 15:55:56 +00:00
4a975dd8cf git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 23:49:20 +00:00
72ac6ea854 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12956 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 23:43:48 +00:00
aeb7fec23a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-12-02 02:15:39 +00:00
f14e5cdce6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12714 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-18 00:15:46 +00:00
5e1af15a10 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12710 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-17 23:50:15 +00:00