11 #include <mcMd/analyzers/SystemAnalyzer.h> 12 #include <mcMd/simulation/System.h> 13 #include <util/accumulators/Average.h> 14 #include <util/containers/DArray.h> 15 #include <util/space/Vector.h> 53 virtual void readParameters(std::istream& in);
65 virtual void sample(
long iStep);
70 virtual void output();
75 std::ofstream outputFile_;
87 double totalMomentum_;
A set of interacting Molecules enclosed by a Boundary.
Classes used by all simpatico molecular simulations.
Evaluates x-velocity profile as a function of z.
Utility classes for scientific computation.
Template for Analyzer associated with one System.
Dynamically allocatable contiguous array template.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).