9825c0d14d
Add Cmake debug configurations and presets
Build and Test / build-and-test (push) Has been cancelled
2025-09-17 20:47:14 -04:00
68992c77f5
Add untested neighborlisting code
Build and Test / build-and-test (push) Failing after 5m3s
2025-09-13 23:11:53 -04:00
c4757df1be
Add newton's third law
Build and Test / build-and-test (push) Failing after 5m3s
2025-09-13 20:29:05 -04:00
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
dd83fc6330
Fix branch name
Build and Test / build-and-test (push) Failing after 5m2s
2025-09-12 06:26:37 -04:00
2ed1ea01c0
Fix runner version
2025-09-12 06:24:34 -04:00
eac630680c
Remove doxygen since we aren't using it
2025-09-12 06:23:09 -04:00
41c02daac3
Add tests to workflow pipeline
2025-09-12 06:21:04 -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
7f04ae793a
Add missing CUDA_CALLABLE annotation
2025-09-04 21:00:13 -04:00
dc74e4e5c0
Add force calculation kernel and fix incorrect ctest configuration for Cuda tests
2025-08-27 22:07:47 -04:00
cad74747bf
Update Readme and CMakeLists for new git repo path
2025-08-25 20:51:12 -04:00
746face829
Formatting change
2025-07-14 10:37:35 -04:00
62e52940bc
Update all code to use real type
2025-04-27 14:33:46 -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
dfd6f43e9b
Properly include Vec3
2025-04-16 08:12:35 -04:00
a65149a619
Remove unneeded shell files
2025-04-15 14:11:55 -04:00
942caf0f15
Update README
2025-04-15 14:11:34 -04:00
68f8b02f0a
Update to add Cuda to build system
2025-04-15 14:10:01 -04:00
Timothy Helton
8408036078
Merge pull request #7 from TimothyHelton/feature/readme_update_2
...
ENH: add automation instructions
2018-01-03 16:18:10 -07:00
Timothy Helton
290e15157e
ENH: add automation instructions
2018-01-03 16:17:29 -07:00
Timothy Helton
84c40f85d6
Merge pull request #6 from TimothyHelton/feature/automation_scripts
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ENH: add repository automation scripts
2018-01-03 15:55:53 -07:00
Timothy Helton
f53eb3a5f3
ENH: add repository automation scripts
2018-01-03 15:55:08 -07:00
Timothy Helton
9143e3808e
Merge pull request #5 from TimothyHelton/feature/readme_update
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ENH: add git address to README
2017-12-30 17:30:35 -07:00
Timothy Helton
c76236dc8b
ENH: add git address to README
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(cherry picked from commit 3f0cb09)
2017-12-30 17:29:35 -07:00
Timothy Helton
f3ee95c476
Merge pull request #4 from TimothyHelton/feature/add_googletest
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Feature/add_googletest
2017-12-28 15:32:09 -07:00
Timothy Helton
aba1e0d295
MAINT: update .gitignore
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Exclude Directories:
- build
- tests/lib
2017-12-28 15:31:09 -07:00
Timothy Helton
4ed070789f
ENH: remove manual clone Google Test instructions
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CMake now preforms the clone operation.
2017-12-28 15:27:30 -07:00
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
Timothy Helton
ea1ef11694
Merge pull request #3 from TimothyHelton/feature/add_doxygen
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ENH: add Doxygen documentation
2017-12-28 11:24:39 -07:00
Timothy Helton
1ee5293d99
ENH: add Doxygen documentation
2017-12-28 11:23:40 -07:00
Timothy Helton
c7eff7e6b8
Merge pull request #2 from TimothyHelton/feature/add_src
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ENH: add source files
2017-12-28 11:19:41 -07:00
Timothy Helton
d3d2fafe27
ENH: add source files
2017-12-28 11:15:19 -07:00
Timothy Helton
2db908fc4f
Merge pull request #1 from TimothyHelton/add-license-1
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Create LICENSE
2017-12-28 09:31:32 -07:00
Timothy Helton
178a22dc9e
Create LICENSE
2017-12-28 09:31:15 -07:00
Timothy Helton
5f05b67d84
Initial Commit
2017-12-28 09:24:10 -07:00
