- 02 Apr, 2025 1 commit
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Jinfeng authored
* modifiy CMakeLists.txt to generate drude fortran wrapper * modify doxyfile and wrapper generation wrapper
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- 28 Mar, 2025 1 commit
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Peter Eastman authored
* Remove includes for Dart * Fix CMake error * Fixed broken link * Pin to cmake<4.0 * Try to make the link checker stop complaining
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- 01 Sep, 2024 1 commit
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Anton Gorenko authored
* Remove setting of link libraries, include and link dirs and compile flags for each target, instead let Cmake deal with them by linking the main library to hip::host hiprtc::hiprtc hip::hipfft; * Fix: custom command without ADD_CUSTOM_TARGET and ADD_DEPENDENCIES is executed for both static and shared targets; * Remove IF(APPLE) parts.
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- 16 Jul, 2021 1 commit
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Peter Eastman authored
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- 08 Jan, 2020 1 commit
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peastman authored
* Began creating common compute framework to unify code between CUDA and OpenCL * Began OpenCL implementation of common compute framework * Common implementation of CMMotionRemover * CUDA implementation of common compute interface * Converted HarmonicBondForce to common compute API * Converted standard bonded forces to common compute API * Converted ExpressionUtilities to common compute API * Created ComputeParameterSet * Converted custom bonded forces to common compute API * Converted CustomCentroidBondForce to common compute API * Converted CustomManyParticleForce to common compute API * Moved lots of duplicate code from CudaContext and OpenCLContext to ComputeContext * Converted GayBerneForce to common compute API * Removed obsolete kernels * Converted verlet integrators to common compute API * Converted Langevin and Brownian integrators to common compute API * Converted CustomIntegrator to common compute API * Converted CustomNonbondedForce to common compute API * Removed uses of a deprecated API * Fixed failing test cases * Converted GBSAOBCForce to common compute API * Began converting CustomGBForce to common compute API * Finished converting CustomGBForce to common compute API * Merged duplicated code in CudaIntegrationUtilities and OpenCLIntegrationUtilities * Converted RMSDForce and AndersenThermostat to common compute API * Converted CustomHbondForce to common compute API * Merged scripts for encoding kernel sources * Converted Drude plugin to common compute API * Fixed errors in CMake scripts * Attempt at fixing errors on Windows * Added discussion of common compute API to developer guide * Added Windows export macro for common classes * Fixed error in CMMotionRemover * Ubdated travis to newer Ubuntu version * Fixed errors on CPU OpenCL * Fixed Windows linking errors * Added missing pragma for 32 bit atomics * Replaced long long with mm_long * More fixes to Windows linking * Bug fix
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- 26 Oct, 2015 1 commit
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Robert T. McGibbon authored
New advanced options OPENMM_BUILD_CPU_TESTS, OPENMM_BUILD_SERIALIZATION_TESTS, OPENMM_BUILD_REFERENCE_TESTS were added to the cmake configuration and disabled in the OpenCL test matrix element to increase speed. Redundant or unnecessary apt packages removed from the travis installation.
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- 27 Aug, 2015 1 commit
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peastman authored
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- 12 Aug, 2015 1 commit
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Peter Eastman authored
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- 03 Nov, 2014 1 commit
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peastman authored
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- 14 Sep, 2014 1 commit
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James Sweet authored
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- 11 Apr, 2014 1 commit
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peastman authored
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- 28 Jan, 2014 1 commit
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Yutong Zhao authored
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- 12 Dec, 2013 1 commit
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peastman authored
Plugins work with CPU platform. This involved separating the reference implementations of plugins into their own libraries.
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- 05 Dec, 2013 1 commit
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peastman authored
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- 26 Nov, 2013 1 commit
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peastman authored
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- 21 May, 2013 1 commit
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peastman authored
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- 14 May, 2013 1 commit
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Peter Eastman authored
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