8 #include "IntegratorFactory.h" 11 #include "NveIntegrator.h" 12 #include "NvtIntegrator.h" 13 #include "NvtLangevinIntegrator.h" 14 #include "NptIntegrator.h" 15 #include "NphIntegrator.h" 26 : simulationPtr_(&simulation)
41 if (className ==
"NveIntegrator") {
44 if (className ==
"NvtIntegrator") {
47 if (className ==
"NvtLangevinIntegrator") {
50 if (className ==
"NptIntegrator") {
53 if (className ==
"NphIntegrator") {
A NVT molecular dynamics integrator with a Langevin thermostat.
Parallel domain decomposition (DD) MD simulation.
Main object for a domain-decomposition MD simulation.
A Nose-Hoover constant temperature, constant volume integrator.
An Integrator numerically integrates the equations of motion.
Integrator * trySubfactories(const std::string &className) const
Search through subfactories for match.
Utility classes for scientific computation.
Integrator * factory(const std::string &speciesName) const
Method to create any species supplied with Simpatico.
A velocity-Verlet constant energy integrator.
IntegratorFactory(Simulation &simulation)
Constructor.
A reversible, symplectic NPH integrator (Anderson barostat).
A reversible symplectic NPT integrator.