eb80fd3031
Add method to copy Kokkos neighbor list to CPU list
2020-02-26 14:26:46 -07:00
69854eab42
Expose Neighbor lists via library interface
2019-09-12 13:46:05 -04:00
42c31227d9
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
96744c4933
more include file cleanup
2019-06-30 15:53:17 -04:00
994fd2af0e
move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h
2018-05-09 23:46:09 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
279339ebd0
Remove the now unused AIRct_ssa[] array from the NeighList class.
2017-11-03 13:42:36 -05:00
0966e14e73
more changes to rRESPA neighbor lists
2017-10-17 17:33:01 -06:00
01051e4cb1
refactoring of neighbor history
2017-10-10 16:53:51 -06:00
20ae05055d
fix memory leak via NeighListKokkos::clean_copy()
...
There were several clean_copy() calls in pair
styles *outside device code*.
They seem to have been left over from an abandoned
effort to copy the Kokkos neighbor list as
a member of the pair style, instead of copying
out the individual views needed.
These leftover clean_copy() calls were setting
pointers to NULL that had not been freed,
leading to large memory leaks.
I've removed the clean_copy() function entirely,
and replaced it with the copymode flag system used
in many other Kokkos objects.
The copymode flag is only set to one in
functors that hold copies of the neighbor list.
2017-03-28 11:38:26 -06:00
4b3197202b
USER-DPD: Rework SSA to use a new neighbor list structure, ready for Kokkos
...
NOTE: pair evaluation order changes, causing numerical differences!
Atom pair processing order is fully planned out in npair_half_bin_newton_ssa
Makes the SSA neighbor list structure very different. Do not use by others!
Each local is in ilist, numneigh, and firstneigh four times instead of once.
Changes LAMMPS core code that had been previously changed for USER-DPD/SSA:
Removes ssaAIR[] from class Atom as it is now unused.
Removes ndxAIR_ssa[] from class NeighList as it is now unused.
Increases length of ilist[], numneigh[], and firstneigh[] if SSA flag set.
2017-02-22 15:08:21 -05:00
151b3f552b
USER-DPD: Save pointer to the NPair used to create the NeighList
...
Gives a user of NeighList access to data stored in a custom NPair
2017-02-22 15:08:21 -05:00
3dbbea342a
remove a debug print line
2017-02-21 15:57:03 -07:00
1cd4c48ccc
new SNAP potential for W
2017-02-21 15:49:21 -07:00
9161bd98bf
fixed bug with pair hybrid/overaly and manybody potentials finding the right skip neighbor method
2016-12-21 09:50:29 -07:00
8318c67816
Kokkos neighbor refactor
2016-12-07 13:00:27 -07:00
8ed3f4226e
USER-DPD: move custom binning stuff to a NBinSSA child class.
...
Removes most SSA specific fields from class NeighList.
2016-09-09 12:19:06 -04:00
c9c2ae6c61
new neighbor list changes
2016-09-07 13:42:58 -06:00
6e2a74eaf9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15340 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-18 16:59:02 +00:00
ea39843564
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2016-07-15 23:14:13 +00:00
d326e8a767
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2016-07-14 19:44:08 +00:00
28faf10980
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2016-07-09 20:41:21 +00:00
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2016-06-08 23:15:55 +00:00
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2015-10-30 20:04:06 +00:00
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2015-07-17 15:04:19 +00:00
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2015-01-19 23:38:26 +00:00
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2014-08-14 16:30:03 +00:00
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2014-04-10 20:21:07 +00:00
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2013-11-08 16:50:09 +00:00
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2012-06-06 22:47:51 +00:00
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2012-02-28 17:29:18 +00:00
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