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Add MPI-aware AtomPack neighbor search prototype #7445

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Add MPI-aware AtomPack neighbor search prototype #7445

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528ac18
Optimize neighbor grid search in source/source_cell/module_neighbor/s…
hhb2006 May 30, 2026
95a4a0d
Add MPI domain decomposition interface
frostmoss Jun 4, 2026
16afe77
Implement MPI domain decomposition
frostmoss Jun 4, 2026
9ff6fe6
Add MPI domain decomposition tests
frostmoss Jun 4, 2026
9704c05
Build MPI domain decomposition component
frostmoss Jun 4, 2026
9a9602d
Add MPI domain decomposition test target
frostmoss Jun 4, 2026
d686797
Fix MPI domain C++11 includes and initialization
frostmoss Jun 4, 2026
eea6eea
Fix MPI domain test includes
frostmoss Jun 4, 2026
ddd25ed
Guard MPI communicator cleanup
frostmoss Jun 4, 2026
b7de4f9
Keep MPI initialized across domain tests
frostmoss Jun 4, 2026
9ec3c37
Merge pull request #1 from frostmoss/final-project
hhb2006 Jun 4, 2026
891db22
Add AtomPack grid storage and MPI neighbor prototype tests
Yanglijf Jun 5, 2026
d4ff62d
Merge pull request #2 from Yanglijf/final-project
hhb2006 Jun 5, 2026
5ebdfae
Improve neighbor grid pair comparison test
hhb2006 Jun 6, 2026
74a799b
Add AtomPack default query path and half-domain neighbor prototype
Yanglijf Jun 6, 2026
c0c8d64
Fix NeighborPair initialization for C++11 builds
Yanglijf Jun 6, 2026
ff3db31
Merge pull request #3 from Yanglijf/final-project
hhb2006 Jun 6, 2026
e470c33
Link AtomPack in MD tests
Yanglijf Jun 6, 2026
8dffe23
Merge pull request #4 from Yanglijf/final-project
hhb2006 Jun 6, 2026
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8 changes: 4 additions & 4 deletions source/source_cell/module_neighbor/CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -5,14 +5,14 @@ add_library(
sltk_atom_arrange.cpp
sltk_grid.cpp
sltk_grid_driver.cpp
atom_pack.cpp
mpi_domain.cpp
)

if(ENABLE_COVERAGE)
add_coverage(neighbor)
endif()

if(BUILD_TESTING)
if(ENABLE_MPI)
add_subdirectory(test)
endif()
endif()
add_subdirectory(test)
endif()
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