c083d5d6f3
fix memory leak in list of neighbor list requests
2017-07-18 00:18:03 -04:00
1fc2eb1e3e
fix issue with rRESPA inner/middle neighbor lists
2017-06-21 15:12:51 -06:00
7dc380b113
insure compute pair/property local will use a copy of granular neigh list
2017-06-21 12:44:35 -06:00
7f9a331c73
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
2017-05-16 15:51:41 -06:00
08ec55743e
neighbor list bugfix to prevent cycle in copy lists
2017-05-09 08:55:18 -06:00
addd87c0f7
new Section package and start doc pages and build scripts
2017-05-04 11:22:20 -06:00
c041727e4f
remove dead code and reduce trivial compiler warnings (clang++)
2017-03-27 14:28:50 -04:00
b28b84d444
Fix half from full nlist issue with Kokkos
2017-03-09 14:00:27 -07:00
920641bbff
Merge pull request #399 from rbberger/docs_spelling_fixes
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Correct spelling errors in documentation
2017-03-07 09:47:22 -07:00
efaa4c6710
new neigh_modify exclude option, other SNAP changes
2017-03-07 09:31:12 -07:00
7dd60f9737
Fix typos in src files
2017-03-05 21:03:40 -05:00
1cd4c48ccc
new SNAP potential for W
2017-02-21 15:49:21 -07:00
f8506fee23
sync GHub with SVN
2017-01-26 14:06:43 -07:00
caea8973a3
add neighbor list kind output to screen
2017-01-20 13:24:09 -07:00
e6996121d1
remove dead code
2017-01-20 14:30:46 -05:00
fbfb1df5eb
fix typo causing wrong neighbor list copy selections
2017-01-19 20:47:10 -05:00
9a299875da
simplified neighbor list copying to avoid possible same-timestep re-build issues
2017-01-19 17:01:15 -07:00
c52a26382f
Merge pull request #339 from akohlmey/fixes-for-srp-example
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Fixes for srp example
2017-01-17 09:36:28 -07:00
473a3ebeef
fix for bug with compute rdf with pair reax/c. we must not copy a neighbor list, if newton settings are not compatible
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an alternate route to address this issue would be to allow an "ANY" setting for neighbor list requests and then query the neighbor list for newton setting instead of the force class.
2017-01-15 12:05:19 -05:00
630783c8e8
Fixing neighbor bug
2017-01-12 16:22:24 -07:00
b10d0c17ec
Initializing pointers in neighbor.cpp
2017-01-03 11:24:48 +01:00
9161bd98bf
fixed bug with pair hybrid/overaly and manybody potentials finding the right skip neighbor method
2016-12-21 09:50:29 -07:00
f509f133af
patch 13Dec16: neighbor refactor, Stan pppm/disp bug fix, M Brown INTEL package updates
2016-12-13 17:14:28 -07:00
baf55c90f4
Whitespace change
2016-12-12 09:25:41 -07:00
770f5d0bf7
Whitespace change
2016-12-12 09:24:37 -07:00
31be0da590
Merging pull request
2016-12-09 16:17:35 -07:00
43c459ba56
More changes for Kokkos neighbor
2016-12-09 15:56:55 -07:00
eff503e56c
Prevent neighbor list copies between SSA and non-SSA neighbor list requests.
2016-12-09 15:39:46 -06:00
8318c67816
Kokkos neighbor refactor
2016-12-07 13:00:27 -07:00
c9c2ae6c61
new neighbor list changes
2016-09-07 13:42:58 -06:00
639ea6c396
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-10 14:59:04 +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
64516e4314
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15342 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-18 22:08:53 +00:00
0ec028d9f2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15339 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-16 22:35:08 +00:00
778ae37e6e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15338 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-16 22:27:01 +00:00
ea39843564
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15329 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-15 23:14:13 +00:00
6bc507cd6a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15274 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-09 20:41:07 +00:00
9fd6803142
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15237 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-01 14:25:15 +00:00
cda102364a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15235 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-30 20:43:33 +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
50ac419d3f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15159 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-08 23:15:55 +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
bbdd574e6d
Removed some memory leaks is SSA neighbor list
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15063 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-24 22:54:03 +00:00
212f64d2f1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15040 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-12 13:54:17 +00:00
21f3a8318f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15026 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-11 20:25:39 +00:00
86fc7d455c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14767 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-22 00:17:14 +00:00
bb0e8a114f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14694 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-01 00:39:43 +00:00
855e8ec701
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14692 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-29 15:36:36 +00:00
94d8894f86
Added exclusion delete function and bounds check for coord2bin
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14690 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-26 23:39:53 +00:00
3e9a18b5bb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14533 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-03 20:53:35 +00:00
