1 #ifndef MCMD_END_SWAP_MOVE_H 2 #define MCMD_END_SWAP_MOVE_H 11 #include <mcMd/mcMoves/SystemMove.h> 12 #include <util/containers/DArray.h> 13 #include <util/space/Vector.h> 49 virtual void readParameters(std::istream& in);
A System for use in a Markov chain Monte Carlo simulation.
Saving / output archive for binary ostream.
Utility classes for scientific computation.
An McMove that acts on one McSystem.
int speciesId_
Integer index for molecular species.
Saving archive for binary istream.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
A move that swaps the ends of a linear hetero-polymer.
DArray< int > atomTypeIds_
Array of atom type indices.
DArray< Vector > positions_
Array of atomic positions (temporary).