251dcdf8a2
Make use of ENERGY_ and VIRIAL_ constants
2020-11-16 15:33:15 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
326d9f398c
Merge branch 'master' into iss2345
2020-09-15 14:06:16 -04:00
2794108837
don't update per-atom pair data if not available
2020-09-15 10:12:07 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
fc3d9fee5e
more USER-OMP updates
2020-09-04 01:32:52 -04:00
e44c394680
pairwise -> two-body for clarity in appropriate comments
2019-11-13 19:48:52 +09:00
6b94126f67
change flag name in pair.h: cntratmstressflag -> centroidstressflag
2019-11-13 18:37:48 +09:00
0a64dff132
add initial support to centroid virial in USER-OMP pair styles
2019-11-11 23:27:10 +09:00
f4a07cf24e
update USER-OMP to compute per-atom virial for pairs when vflag=8
2019-10-08 16:11:58 +09:00
7bd296919e
update USER-OMP to compute per-atom centroid virial for impropers when vflag=8
2019-10-08 14:55:26 +09:00
a368f4ee29
update USER-OMP to compute per-atom centroid virial for dihedrals when vflag=8
2019-10-08 14:55:20 +09:00
20b44f2427
update USER-OMP to compute per-atom centroid virial for angles when vflag=8
2019-10-08 14:06:54 +09:00
d401d07595
v_tally9 helper function for adding arrays with 9 elements
2019-10-04 19:39:23 +09:00
ad6e5a82b0
update USER-OMP to compute per-atom centroid virial for bonds when vflag=8
2019-10-08 16:08:04 +09:00
d2281503ca
add centroid virial argument (cvatom) to ThrOMP::ev_setup_thr, and modify all related styles to pass a NULL pointer to pass compilation
2019-10-04 19:14:05 +09:00
b4f60ef477
starting to work on includes in USER-OMP
2019-07-11 22:12:01 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
8b7bd9d88e
fix bug where per atom data for USER-OMP was reducing the wrong arrays with hybrid styles
2017-01-26 14:59:10 -05:00
0ffa50f8e8
tweaked author syntax
2016-11-22 08:15:13 -07:00
5685131fe2
add USER-OMP version of pair style agni
2016-11-11 19:08:01 -05:00
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
14554c93af
Fixing compile error in USER-OMP
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13973 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-31 15:20:49 +00:00
4e247c3b8c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13951 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-28 23:36:43 +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
418e9cf0bb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11306 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-24 21:43:20 +00:00
cb1ad361fb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11256 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-17 21:17:42 +00:00
adb129fe99
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9581 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-03-06 16:44:43 +00:00
a8cb638e76
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9443 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-11 15:35:40 +00:00
6676724eee
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9404 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 16:57:12 +00:00
b078dc5e0b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9279 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-17 15:56:40 +00:00
6dcb5fb23d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9002 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-25 15:35:14 +00:00
9a9291036d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
fb6436ab4e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8863 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 19:59:40 +00:00
5e52200ad3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8496 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-07-24 23:14:32 +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
61c4fa6ee0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-03-05 15:31:20 +00:00
4deb839d4b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7881 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-03-02 15:41:18 +00:00
f55b74a85f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7804 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-16 16:13:15 +00:00
2c42373bc8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7644 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-01 16:07:44 +00:00
650607a38b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7323 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-12-08 23:18:19 +00:00
3895849986
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7264 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-12-01 17:05:22 +00:00
90a5d2b322
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7066 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-10-10 17:11:58 +00:00
1d743442b3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6816 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-08-25 19:21:40 +00:00
