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  • Peter Eastman's avatar
    Virtual site for symmetric molecules (#4185) · bb3073d4
    Peter Eastman authored
    * Reference implementation of SymmetrySite
    
    * Common implementation of SymmetrySite
    
    * Removed duplicated code
    
    * Serialization for SymmetrySite
    
    * Fixed compilation error building C wrapper
    
    * Added SymmetrySite to user guide
    
    * Bug fix
    
    * Added P21 test case
    bb3073d4
CpuPmeKernels.cpp 38.7 KB