8 #include "generatorFactory.h" 9 #include <mcMd/generators/Generator.h> 10 #include <mcMd/generators/PointGenerator.h> 11 #include <mcMd/generators/LinearGenerator.h> 12 #include <simp/species/Point.h> 13 #include <simp/species/Linear.h> 14 #include <mcMd/mcSimulation/McSystem.h> 15 #include <mcMd/mdSimulation/MdSystem.h> 17 #include <simp/species/Species.h> 29 if (dynamic_cast<Point*>(&species)) {
34 if (dynamic_cast<Linear*>(&species)) {
45 if (dynamic_cast<Point*>(&species)) {
50 if (dynamic_cast<Linear*>(&species)) {
void setBondPotential(BondPotential &bondPotential)
Create an association with a BondPotential.
A System for use in a Markov chain Monte Carlo simulation.
BondPotential & bondPotential() const
Return the BondPotential by reference.
Generates random configurations for linear molecules.
Classes used by all simpatico molecular simulations.
Generator * generatorFactory(Species &species, McSystem &system)
Instantiates generator for on species in an McSystem.
Generates initial configurations for molecules of one species.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
A System for Molecular Dynamics simulation.
A Species represents a set of chemically similar molecules.
Generator for monoatomic molecules (atoms).
BondPotential & bondPotential() const
Return BondPotential by reference.