|
|
71159c4af4
|
Made orientorder check safer
|
2020-04-30 21:39:37 -06:00 |
|
|
|
14322a9907
|
Allow compute_coord_atom to use Kokkos orientorder
|
2020-04-30 12:37:05 -06:00 |
|
|
|
a44e49e276
|
Add Kokkos version of compute coord/atom
|
2020-02-25 10:22:30 -07:00 |
|
|
|
7967cb1133
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
|
|
378474c4e6
|
more include file cleanup suggested by IWYU
|
2019-06-28 02:07:18 -04:00 |
|
|
|
c7eb9a8626
|
there really isn't a problem with calling this compute multiple times
|
2019-05-17 15:26:35 -04:00 |
|
|
|
27a2d0cbd4
|
add option to restrict coordination number by group
|
2019-05-16 08:55:03 -04:00 |
|
|
|
e9bc939098
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
|
|
e4071d7f46
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
|
|
e992bfe510
|
remove unused variable
|
2017-01-25 15:40:52 -07:00 |
|
|
|
9a299875da
|
simplified neighbor list copying to avoid possible same-timestep re-build issues
|
2017-01-19 17:01:15 -07:00 |
|
|
|
92d15d4a89
|
replace string compare with enums, fix memory leak, formatting cleanup
|
2017-01-10 12:52:37 -05:00 |
|
|
|
95706ac846
|
import contributed code for computes coord/atom and orientorder/atom
|
2017-01-10 12:29:22 -05:00 |
|
|
|
35753b8f08
|
add error location propagation to force->bounds() and force->boundsbig()
|
2016-10-26 15:53:02 -04:00 |
|
|
|
2993aec312
|
sync with Git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15519 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-08-29 22:52:03 +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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
2516600403
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12579 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-09-30 23:20:03 +00:00 |
|
|
|
aa33af4032
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-06-28 19:00:58 +00:00 |
|
|
|
628ef9081f
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8563 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-08-08 15:00:24 +00:00 |
|
|
|
5132647c39
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8562 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-08-08 14:47:48 +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 |
|
|
|
22e3df9858
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7397 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-01-03 21:57:21 +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 |
|
|
|
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 |
|
|
|
eb7d288360
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5896 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2011-04-05 19:10:43 +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 |
|
|
|
97cfbf8fb4
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3508 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2009-12-04 21:03:54 +00:00 |
|
|
|
69d350af34
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3481 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2009-12-03 17:45:22 +00:00 |
|
|
|
94ddc19477
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2009-02-12 21:36:52 +00:00 |
|
|
|
0cc1d090f4
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2330 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2009-01-05 22:26:08 +00:00 |
|
|
|
b2e9f7dc10
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1272 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2008-01-02 19:24:46 +00:00 |
|
|
|
8fb52958ce
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1193 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2007-11-30 21:54:30 +00:00 |
|
|
|
aef3f32236
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@951 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2007-10-04 17:57:04 +00:00 |
|
|
|
9be7620ace
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2007-10-03 16:22:30 +00:00 |
|
|
|
0a1346d6d8
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@815 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2007-08-17 21:58:31 +00:00 |
|
|
|
aaed6ebc33
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@622 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2007-06-20 13:17:59 +00:00 |
|
|
|
e5bf8920d7
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@560 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2007-05-14 16:15:24 +00:00 |
|
