8ba5714648
Add a kernel_config to calculate blocks and threads for launching kernels
Build and Test / build-and-test (push) Failing after 5m3s
2025-09-12 22:47:21 -04:00
130b613a7c
Change default precision to float and use float4 for force and potential calculations
2025-09-12 21:44:41 -04:00
fe6d88306f
Fix force tests
2025-09-12 06:16:37 -04:00
ac44ceaab1
Rewrite the force calculations to fix memory issues
2025-09-10 22:47:54 -04:00
2d948a7e76
Move pair potentials and change to traditional Functor
2025-09-10 22:03:11 -04:00
a638c4f388
Fix missing summation for energy
2025-09-10 06:10:36 -04:00
dc74e4e5c0
Add force calculation kernel and fix incorrect ctest configuration for Cuda tests
2025-08-27 22:07:47 -04:00
4269333aa2
Fix bug with CUDA impl and add CUDA tests
2025-04-17 16:21:59 -04:00
5155ec21aa
Add basic LJ potential*
...
- Add PairPotential Abstract class
- Add Lennard-Jones potential that should work with both CUDA and C++
code
- Add tests on HOST side for LJ potential
2025-04-17 16:07:26 -04:00
f15eb0cf51
Update CMakeFiles, add initial pair potential implementation and tests
2025-04-16 23:06:50 -04:00
6162b27a89
Add pair potential and tests
2025-04-16 14:01:40 -04:00
Timothy Helton
ab5df877fc
ENH: add commands to clone Google Test into project
2017-12-28 15:24:50 -07:00
Timothy Helton
7c78897f19
ENH: add testing structure
2017-12-28 11:43:15 -07:00
