1 #ifndef MCMD_BOUNDARY_AVERAGE_H 2 #define MCMD_BOUNDARY_AVERAGE_H 11 #include <mcMd/analyzers/SystemAnalyzer.h> 12 #include <mcMd/simulation/System.h> 13 #include <util/accumulators/Average.h> 14 #include <util/misc/FileMaster.h> 43 virtual void readParameters(std::istream& in);
65 template <
class Archive>
66 void serialize(Archive& ar,
const unsigned int version);
79 virtual void sample(
long iStep);
84 virtual void output();
89 std::ofstream outputFile_;
105 template <
class Archive>
109 ar & nSamplePerBlock_;
A set of interacting Molecules enclosed by a Boundary.
void serialize(Archive &ar, PairSelector &selector, const unsigned int version)
Serialize a PairSelector.
Saving / output archive for binary ostream.
void serialize(Archive &ar, const unsigned int version)
Serialize to/from an archive.
Utility classes for scientific computation.
Average of boundary lengths and volume of simulation cell.
Template for Analyzer associated with one System.
Dynamically allocatable contiguous array template.
Saving archive for binary istream.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
void serialize(Archive &ar, const unsigned int version)
Serialize to/from an archive.