1 #ifndef MCMD_CFB_DOUBLE_REBRIDGE_MOVE_H 2 #define MCMD_CFB_DOUBLE_REBRIDGE_MOVE_H 11 #include <mcMd/mcMoves/base/CfbRebridgeBase.h> 12 #include <util/containers/DArray.h> 13 #include <util/space/Vector.h> 44 virtual void readParameters(std::istream& in);
85 bool forwardScan(
int sign,
int &iMol,
int &jMol,
86 int &beginId,
double &prob);
89 bool reverseScan(
int sign,
int iMol,
int jMol,
90 int beginId,
double &prob);
configuration bias trimer double rebridge moves, to reconnect two chains.
A System for use in a Markov chain Monte Carlo simulation.
DArray< Vector > jOldPos_
Array of old positions of temporarily deleted atoms (jMol).
Classes used by all simpatico molecular simulations.
Base class configuration bias moves internal segment regrowth moves.
DArray< Vector > iOldPos_
Array of old positions of temporarily deleted atoms (iMol).
Saving / output archive for binary ostream.
Utility classes for scientific computation.
int speciesId_
Integer index for molecular species.
Dynamically allocatable contiguous array template.
Saving archive for binary istream.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
double bridgeLength_
upper bound for trial lenght of a bridge.
int nRegrow_
Number of particles at end to attempt to regrow.