1. 14 Apr, 2022 1 commit
    • Peter Eastman's avatar
      Vectorized CpuCustomNonbondedForce (#3568) · c8981916
      Peter Eastman authored
      * Began vectorizing CustomNonbondedForce
      
      * Refactored CpuCustomNonbondedForce to support multiple vector sizes
      
      * AVX implementation of CpuCustomNonbondedForce
      
      * Fixed compilation errors
      c8981916
  2. 10 Apr, 2022 1 commit
    • Peter Eastman's avatar
      Vectorize custom expressions on CPU (#3552) · aafb8b5b
      Peter Eastman authored
      * Began implementing vectorization of Lepton expressions
      
      * Tests for vector expressions
      
      * Implemented CompiledVectorExpression for x86
      
      * Bug fix
      
      * Optimized select() on ARM
      
      * Optimized select() on x86
      
      * CompiledVectorExpression supports AVX
      
      * Bug fix
      
      * Updated docs
      
      * Use VEX encoded instructions for CompiledExpression
      
      * Optimized min() and max() on x86
      
      * Optimized min() and max() on ARM
      
      * Fixed compilation error
      
      * Upgrade AsmJit
      aafb8b5b
  3. 18 Mar, 2022 1 commit
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  5. 08 Sep, 2021 1 commit
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  7. 13 Apr, 2020 1 commit
  8. 12 Dec, 2019 1 commit
    • Jérôme Hénin's avatar
      Fix Lepton optimization with -ffast-math · 144fa34a
      Jérôme Hénin authored
      Lepton::ParsedExpression::getConstantValue() used to return NaN to indicate non-constant
      expressions. This can break with -ffast-math optimization where NaN comparisons are
      not defined.
      
      This patch defines bool isConstant() to test whether an expression is constant before
      calling getConstantValue(). getConstantValue() now throws an exception if called on a
      non-constant expression.
      144fa34a
  9. 01 Jun, 2019 1 commit
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  22. 16 Sep, 2014 4 commits
  23. 10 Jul, 2014 2 commits
  24. 16 Jun, 2014 1 commit
    • Christopher Dembia's avatar
      Fix Clang warning about unhandled enum values. · debf09a4
      Christopher Dembia authored
      Clang had been generating the following warning:
      
      ```
      ParsedExpression.cpp:123:13:
      warning:
            30 enumeration values not handled in switch: 'CONSTANT', 'VARIABLE',
            'CUSTOM'...
                  [-Wswitch]
                      switch (node.getOperation().getId()) {
                                      ^
                                      1 warning generated.
      ```
      
      To get rid of this warning, I added a default case, which does nothing.
      debf09a4
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