1 #ifndef MCMD_CFB_END_MOVE_H 2 #define MCMD_CFB_END_MOVE_H 11 #include <mcMd/mcMoves/base/CfbEndBase.h> 12 #include <util/containers/DArray.h> 13 #include <util/space/Vector.h> 45 virtual void readParameters(std::istream& in);
78 friend class CbEndMoveTest;
A System for use in a Markov chain Monte Carlo simulation.
int nRegrow_
Number of particles at end to attempt to regrow.
Classes used by all simpatico molecular simulations.
DArray< Vector > oldPos_
Array of old positions of temporarily deleted atoms (temporary).
Saving / output archive for binary ostream.
int speciesId_
Integer index for molecular species.
Utility classes for scientific computation.
Configuration bias end regrowth move for flexible linear chains.
Dynamically allocatable contiguous array template.
Saving archive for binary istream.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
Base class for configuration bias (CFB) end regrowth moves.