- 02 Jun, 2020 1 commit
-
-
Andrius Merkys authored
-
- 01 Jun, 2020 1 commit
-
-
Andrius Merkys authored
-
- 29 May, 2020 4 commits
-
-
peastman authored
Replace NULL with nullptr when adding kernel arguments
-
Thomas Trummer authored
This ensures that the correct argument size is used when calling clSetKernelArg.
-
peastman authored
Fix invalid call to __host__ function in computeBondedForces
-
peastman authored
Added Integrator.setIntegrationForceGroups()
-
- 28 May, 2020 3 commits
- 27 May, 2020 3 commits
- 26 May, 2020 1 commit
-
-
peastman authored
Cpu generic vector test
-
- 25 May, 2020 1 commit
-
-
Thomas Trummer authored
-
- 24 May, 2020 1 commit
-
-
peastman authored
Created MTSLangevinIntegrator
-
- 22 May, 2020 6 commits
-
-
peastman authored
-
peastman authored
-
Thomas Trummer authored
Explicitly cast the second parameter to the type of the first one so the compiler can pick an overload that is supported in device code (fixes error: calling a __host__ function("fmin<float, int, (int)0> ") from a __global__ function("computeBondedForces") is not allowed). -
peastman authored
Removed name of variadic argument list
-
Daniel Towner authored
This helps pave the way to test wider SIMD ISAs, such as AVX-512.
-
Thomas Trummer authored
Naming the argument list of a variadic macro is a GNU extension which is not supported by msvc. Since CUDA uses the system preprocessor this will fail to build kernels on Windows (fixes error C2010: '.': unexpected in macro parameter list).
-
- 21 May, 2020 2 commits
-
-
peastman authored
Replaced alternative spelling of not-operator with '!'
-
Thomas Trummer authored
This is required by msvc when standard conformance mode is not enabled (DrudeNoseHooverIntegratorProxy.cpp(53): error C2065: 'not': undeclared identifier).
-
- 19 May, 2020 1 commit
-
-
peastman authored
Bug fix in periodic spline filter (solves #2627)
-
- 18 May, 2020 2 commits
-
-
peastman authored
CPU: Widen mask for exclusion bits (#2676)
-
Daniel Towner authored
The exclusion mask was 8-bits wide, but future CPU support will require more bits than this (e.g., AVX-512 will be 16-bit).
-
- 11 May, 2020 1 commit
-
-
Thomas Trummer authored
-
- 06 May, 2020 2 commits
- 05 May, 2020 1 commit
-
-
peastman authored
* Fixed OpenCL compiler errors * Fixed incorrect references to BAOAB * Fixed a method that was incorrectly made public
-
- 04 May, 2020 1 commit
-
-
Andy Simmonett authored
* Convert Nose-Hoover into LF middle scheme by copying NH kernels * Rebrand VelocityVerletIntegrator as NoseHooverIntegrator * Consolidate NH tests * NoseHooverChainKernel begone * Make Windows builds happy * Add missing header for Windows build * Fix mistake in CommonKernels header * Add 6th Yoshida-Suzuki and make it the default
-
- 01 May, 2020 1 commit
-
-
dwtowner authored
-
- 30 Apr, 2020 2 commits
-
-
Chris Clark authored
-
dwtowner authored
* CPU: Refactored code to be generic across vector CPU platforms. Ewald and non-Ewald interactions now share a common code base, templated on their interaction type. The vec4 and vec8 implementations have been replaced by a single generic implementation class which is templated on SIMD type. Currently works for SIMD4 and SIMD8 types, but can be extended in future to support other types (e.g., AVX-512). Modified runtime CPU support to lay groundwork for future SIMD types. Pulled out some vector utility functions (gather pair, reduce), and refactored the AVX CPU code to make use of them. * CPU: Fixed coding standards and incorrect header include. * CPU: Fixed code review comments from PR #2661 * CPU: Fixed CI build issues. * CPU: Further CI fixes. * CPU: Fix for unit test failure on MacOS. Reverted optimised code to go back to a version which is thought to work on MacOS. The optimisation will be ...
-
- 29 Apr, 2020 2 commits
- 27 Apr, 2020 1 commit
-
-
peastman authored
CompoundIntegrator handles checkpoints correctly
-
- 26 Apr, 2020 3 commits