1 #ifndef SIMP_INTRA_LINK_H 2 #define SIMP_INTRA_LINK_H 11 #include <mcMd/analyzers/SystemAnalyzer.h> 12 #include <mcMd/simulation/System.h> 13 #include <util/accumulators/Average.h> 67 virtual void readParameters(std::istream& in);
79 virtual void sample(
long iStep);
84 virtual void output();
89 std::ofstream outputFile_;
Calculates the average and variance of a sampled property.
Number of inter and intramolecular links.
A set of interacting Molecules enclosed by a Boundary.
Classes used by all simpatico molecular simulations.
Utility classes for scientific computation.
Template for Analyzer associated with one System.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).