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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
CustomNonbondedForceImpl.cpp 21.6 KB