eb80fd3031
Add method to copy Kokkos neighbor list to CPU list
2020-02-26 14:26:46 -07:00
ccd395fdd8
remove dead code
2020-01-29 14:34:03 -05:00
78d5bc3d12
Merge branch 'master' into library_interface_update
2019-11-12 15:17:32 -05:00
2bbf52073f
Merge pull request #1759 from akohlmey/hybrid-exclusion-bugfix
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Consistent exclusion settings with multiple kspace-like sub-styles in pair hybrid
2019-11-06 06:24:35 -05:00
ae4764e614
address pair match issue with multiple hybrid substyles in exclusion settings
2019-11-05 11:03:25 -05:00
b6b022b610
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
26427cc4cb
Fixed error in neighbor distance check for box dimensions
2019-10-01 11:40:21 -06:00
69854eab42
Expose Neighbor lists via library interface
2019-09-12 13:46:05 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
96744c4933
more include file cleanup
2019-06-30 15:53:17 -04:00
61e9dc4c8d
more accurate checking for styles using utils::strmatch() instead of strcmp() or strncmp()
2019-06-07 07:14:57 -04:00
b51d06b3ea
Change default binsize for Kokkos if running on GPUs
2019-03-12 15:33:28 -06:00
fbc1c1cfdd
replace fixed buffer sprintf() with straight fprintf()
2018-09-06 09:57:10 -04:00
ca04e8f31c
use snprintf() in a bunch of cases to avoid overflowing fixed size buffers with unchecked strings
2018-09-06 02:57:53 -04:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
994fd2af0e
move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h
2018-05-09 23:46:09 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -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
6e3acce3be
Relax restriction in neighbor.cpp
2018-01-12 15:44:11 -07:00
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
736e063971
Merge branch 'master' ( 21893539cb Aug 25) into USER-DPD_kokkos_merge
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Resolved conflicts in src/KOKKOS/npair_kokkos.cpp
2017-08-28 14:46:50 -05:00
81ba181349
tweak an eq in USER-MESO, also allow neigh to be built w/out styles
2017-08-25 17:04:36 -06:00
bc446bb8b0
Merge branch 'master' into USER-DPD_kokkos_testing
2017-07-25 12:12:30 -06:00
c083d5d6f3
fix memory leak in list of neighbor list requests
2017-07-18 00:18:03 -04:00
ea4d11fc5e
Merge branch 'master' into USER-DPD_kokkos_testing
2017-06-26 09:36:30 -06:00
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
2cf83d9fca
Updating from master to 19May17
2017-05-25 11:21:10 -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
bceaa57614
Merge branch 'master' into USER-DPD_kokkos as of patch 31Mar17
2017-04-05 15:05:47 -04:00
c041727e4f
remove dead code and reduce trivial compiler warnings (clang++)
2017-03-27 14:28:50 -04:00
17c8e695a4
Merge branch 'master' into USER-DPD_kokkos as of patch 10 Mar 2017
2017-03-10 21:37:52 -05:00
b28b84d444
Fix half from full nlist issue with Kokkos
2017-03-09 14:00:27 -07:00
de27305227
Merge branch 'master' of https://github.com/lammps/lammps into USER-DPD_kokkos
2017-03-07 11:47:18 -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
151b3f552b
USER-DPD: Save pointer to the NPair used to create the NeighList
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Gives a user of NeighList access to data stored in a custom NPair
2017-02-22 15:08:21 -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
