1. 02 Nov, 2021 1 commit
    • Peter Eastman's avatar
      updateParametersInContext() can change tabulated functions (#3307) · 27bcb657
      Peter Eastman authored
      * updateParametersInContext() can change tabulated functions
      
      * Fixed error in building C wrappers
      
      * updateParametersInContext() can change tabulated functions for CustomCentroidBondForce
      
      * CustomNonbondedForce can update tabulated functions
      
      * CustomGBForce can update tabulated functions
      
      * CustomManyParticleForce can update tabulated functions
      
      * CustomHbondForce can update tabulated functions
      27bcb657
  2. 20 Sep, 2021 1 commit
  3. 25 Nov, 2020 1 commit
  4. 01 Jun, 2020 1 commit
  5. 30 Apr, 2020 1 commit
    • dwtowner's avatar
      [WIP] CPU: Refactored code to be generic across vector CPU platforms. (#2661) · 91952b51
      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      The vec4 and vec8 implementations have been replaced by a single generic implementation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 ...
      91952b51
  6. 23 Mar, 2020 1 commit
    • Alex Henrie's avatar
      Remove unused variables (#2605) · a752d258
      Alex Henrie authored
      * Remove unused variable from CpuCustomGBForce::calculateIxn
      
      * Remove unused variable from CpuCalcCustomManyParticleForceKernel::initialize
      
      * Remove unused variable from CudaCalcCustomCVForceKernel::initialize
      
      * Remove unused variable from ReferenceCalcCustomManyParticleForceKernel::initialize
      
      * Remove unused variables from ReferenceObc::computeBornEnergyForces
      
      * Remove unused variable from AmoebaTorsionTorsionForceProxy::serialize
      a752d258
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