1. 06 Nov, 2025 1 commit
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    • Peter Eastman's avatar
      Optimize updateParametersInContext() (#4610) · 78902bed
      Peter Eastman authored
      * Optimize CustomNonbondedForce.updateParametersInContext()
      
      * Optimized uploading changed values to GPU
      
      * Optimized updateParametersInContext() for lots of bonded forces
      
      * Optimized updateParametersInContext() for CustomExternalForce
      
      * Optimized updateParametersInContext() for NonbondedForce
      
      * Code changes for HIP platform
      78902bed
  4. 24 Feb, 2024 1 commit
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  8. 27 Jan, 2022 1 commit
    • Peter Eastman's avatar
      CustomNonbondedForce supports computed values (#3412) · 33c694d4
      Peter Eastman authored
      * Reference implementation of computed values for CustomNonbondedForce
      
      * CPU implementation of computed values for CustomNonbondedForce
      
      * Common implementation of computed values for CustomNonbondedForce
      
      * Serialization of computed values
      
      * ForceField supports computed values
      33c694d4
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