metadynamics
IntegratorMetaDynamics Member List

This is the complete list of members for IntegratorMetaDynamics, including all inherited members.

dumpGrid(const std::string &filename)IntegratorMetaDynamics
getLogValue(const std::string &quantity, unsigned int timestep)IntegratorMetaDynamicsinline
getProvidedLogQuantities()IntegratorMetaDynamicsinline
IntegratorMetaDynamics(boost::shared_ptr< SystemDefinition > sysdef, Scalar deltaT, Scalar W, Scalar T_shift, unsigned int stride, bool add_hills=true, const std::string &filename="", bool overwrite=false, bool use_grid=false)IntegratorMetaDynamics
interpolateBiasPotential(const std::vector< Scalar > &val)IntegratorMetaDynamicsprivate
isInitialized()IntegratorMetaDynamicsinline
m_add_hillsIntegratorMetaDynamicsprivate
m_bias_potentialIntegratorMetaDynamicsprivate
m_curr_bias_potentialIntegratorMetaDynamicsprivate
m_cv_valuesIntegratorMetaDynamicsprivate
m_delimiterIntegratorMetaDynamicsprivate
m_fileIntegratorMetaDynamicsprivate
m_filenameIntegratorMetaDynamicsprivate
m_gridIntegratorMetaDynamicsprivate
m_grid_indexIntegratorMetaDynamicsprivate
m_is_appendingIntegratorMetaDynamicsprivate
m_is_initializedIntegratorMetaDynamicsprivate
m_log_namesIntegratorMetaDynamicsprivate
m_num_update_stepsIntegratorMetaDynamicsprivate
m_overwriteIntegratorMetaDynamicsprivate
m_restart_filenameIntegratorMetaDynamicsprivate
m_strideIntegratorMetaDynamicsprivate
m_suffixIntegratorMetaDynamicsprivate
m_T_shiftIntegratorMetaDynamicsprivate
m_use_gridIntegratorMetaDynamicsprivate
m_variablesIntegratorMetaDynamicsprivate
m_WIntegratorMetaDynamicsprivate
openOutputFile()IntegratorMetaDynamicsprivate
prepRun(unsigned int timestep)IntegratorMetaDynamicsvirtual
printStats()IntegratorMetaDynamicsinlinevirtual
readGrid(const std::string &filename)IntegratorMetaDynamicsprivate
registerCollectiveVariable(boost::shared_ptr< CollectiveVariable > cv, Scalar sigma, Scalar cv_min=Scalar(0.0), Scalar cv_max=Scalar(0.0), int num_points=0)IntegratorMetaDynamicsinline
removeAllVariables()IntegratorMetaDynamicsinline
restartFromGridFile(const std::string &filename)IntegratorMetaDynamicsinline
setAddHills(bool add_hills)IntegratorMetaDynamicsinline
setGrid(bool use_grid)IntegratorMetaDynamics
setupGrid()IntegratorMetaDynamicsprivate
update(unsigned int timestep)IntegratorMetaDynamicsvirtual
updateBiasPotential(unsigned int timestep)IntegratorMetaDynamicsprivate
writeFileHeader()IntegratorMetaDynamicsprivate
~IntegratorMetaDynamics() (defined in IntegratorMetaDynamics)IntegratorMetaDynamicsinlinevirtual