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ECP-copa
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CabanaMD
Molecular dynamics proxy application based on Cabana
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Use neighbor_parallel_for/reduce with LJ
#63
streeve
closed
4 years ago
0
Update readme to point to wiki
#62
streeve
closed
4 years ago
0
Remove neural network potential
#61
streeve
closed
3 years ago
0
Improve error printing
#60
streeve
closed
4 years ago
0
Add Jenkins testing
#59
streeve
opened
4 years ago
0
Remove HIP workarounds
#58
streeve
closed
3 years ago
1
Use Cajita for MPI decomposition
#57
streeve
closed
3 years ago
0
Use Verlet refill optimization
#56
streeve
closed
4 years ago
0
Fix test backend capitalization
#55
streeve
closed
4 years ago
0
Simplify build dependencies
#54
streeve
closed
4 years ago
0
Enable Kokkos HIP
#53
streeve
closed
4 years ago
2
Add ArborX to travis
#52
streeve
closed
4 years ago
2
Enable multiple devices and fix CudaSpace
#51
streeve
closed
4 years ago
0
Require C++14
#50
streeve
closed
4 years ago
0
NNP atomic slices
#49
streeve
closed
4 years ago
0
Add Werror to CI
#48
streeve
closed
4 years ago
0
Update license for 2020
#47
streeve
closed
4 years ago
0
Update NNP kernels
#46
streeve
closed
4 years ago
0
ArborX neighbor lists
#45
streeve
closed
4 years ago
2
Unit tests
#44
streeve
opened
4 years ago
0
Add templated Neighbor and NeighborVerlet classes
#43
streeve
closed
4 years ago
3
Add unit tests
#42
streeve
closed
4 years ago
1
Fix read_data for multiple ranks
#41
streeve
closed
4 years ago
0
Add NeighborTree
#40
streeve
closed
4 years ago
0
Add Neighbor and NeighborVerlet classes
#39
streeve
closed
4 years ago
3
Add Neighbor class
#38
streeve
closed
4 years ago
0
Remove NNP code and move to n2p2
#37
streeve
closed
3 years ago
0
Use cmakedefine variables
#36
streeve
closed
4 years ago
0
Single Unit Test
#35
frobnitzem
closed
4 years ago
2
Add all (previous) Cabana longrange capability
#34
streeve
opened
4 years ago
1
Enable CabanaMC functionality
#33
streeve
opened
4 years ago
5
Use Kokkos/Cabana CMake targets
#32
streeve
closed
4 years ago
7
Refactored into library and MD bin.
#31
frobnitzem
closed
4 years ago
6
Flexible number of AoSoA and vector lengths
#30
streeve
closed
4 years ago
7
Optional pair_style nnp exit
#29
streeve
closed
4 years ago
0
Fix read_data for multi-node, add masses
#28
streeve
closed
4 years ago
0
Add clang format
#27
streeve
closed
4 years ago
0
Add travis build
#26
streeve
closed
4 years ago
1
Add long range forces
#25
streeve
opened
4 years ago
0
[WIP] Adding Ewald+SPME longrange force solvers
#24
sfogerty
opened
4 years ago
4
neighbor_parallel_for
#23
streeve
closed
4 years ago
0
Variable number of AoSoA
#22
streeve
closed
4 years ago
0
Remove uneeded file
#21
streeve
closed
4 years ago
0
Remove deprecated Kokkos/Cabana code
#20
streeve
closed
4 years ago
0
Update MPI neighbors
#19
streeve
closed
4 years ago
0
Update for Kokkos v3.0
#18
streeve
closed
4 years ago
0
MPI comm (26 neighbor)
#17
streeve
opened
4 years ago
0
Optimal AoSoA / vector length
#16
streeve
closed
4 years ago
0
Convert 1 AoSoA to 6 AoSoA
#15
streeve
closed
4 years ago
1
read_data fix
#14
saakethdesai
closed
4 years ago
0
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