8 #include "MdIntegratorFactory.h" 11 #include "NveVvIntegrator.h" 12 #include "NvtNhIntegrator.h" 13 #include "NvtLangevinIntegrator.h" 14 #include "NvtDpdVvIntegrator.h" 15 #include "NphIntegrator.h" 41 if (className ==
"NveVvIntegrator") {
45 if (className ==
"NvtNhIntegrator") {
48 if (className ==
"NvtLangevinIntegrator") {
51 if (className ==
"NvtDpdVvIntegrator") {
54 if (className ==
"NphIntegrator") {
An NVE Verlet molecular dynamics integrator.
A NVT molecular dynamics integrator with a Langevin thermostat.
Abstract base for molecular dynamics integrators.
MdIntegratorFactory(MdSystem &system)
Constructor.
MdIntegrator * trySubfactories(const std::string &className) const
Search through subfactories for match.
Utility classes for scientific computation.
A velocity-Verlet dissipative particle dynamics (DPD) integrator.
An explictly reversible/measure-preserving Parrinello-Rahman type NPH integrator. ...
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
A Nose-Hoover NVT molecular dynamics integrator.
A System for Molecular Dynamics simulation.
MdIntegrator * factory(const std::string &speciesName) const
Method to create any species supplied with Simpatico.