1 #ifndef DDMD_TWO_STEP_INTEGRATOR_H 2 #define DDMD_TWO_STEP_INTEGRATOR_H 4 #include "Integrator.h" 55 virtual void integrateStep1() = 0;
63 virtual void integrateStep2() = 0;
Parallel domain decomposition (DD) MD simulation.
Main object for a domain-decomposition MD simulation.
An Integrator numerically integrates the equations of motion.
Utility classes for scientific computation.
A two-step velocity-Verlet style integrator.