1 #ifndef DDMD_PAIR_ENERGY_ANALYZER_H 2 #define DDMD_PAIR_ENERGY_ANALYZER_H 11 #include <ddMd/analyzers/AverageAnalyzer.h> 47 virtual void readParameters(std::istream& in);
70 virtual void compute();
77 virtual double value();
Compute and analyze pair energies.
Parallel domain decomposition (DD) MD simulation.
Main object for a domain-decomposition MD simulation.
Saving / output archive for binary ostream.
Analyze average and block averages of a single floating point variable.
Utility classes for scientific computation.
Saving archive for binary istream.