26#ifndef SIMULATOR_SIMULATOR_H
27#define SIMULATOR_SIMULATOR_H
35#ifdef MML_GENERATE_GUI
66 virtual void end() = 0;
72 virtual void getForce(
int index,
double force[3]) = 0;
75 virtual void createPml(
const char* inputFile,
const char* pmlFile) = 0;
77#ifdef MML_GENERATE_GUI
86#ifdef MML_GENERATE_GUI
#define MML_API
Definition MMLAPI.h:43
Manager of the benchmark tests.
Definition MonitoringManager.h:50
Simulator(MonitoringManager *monitoringManager)
default constructor build a simulation from context provided by monitoringManager
Definition Simulator.cpp:29
virtual void getPosition(int index, double position[3])=0
get current position for one atom
MonitoringManager * monitoringManager
monitoring manager
Definition Simulator.h:84
virtual void getForce(int index, double force[3])=0
get current force for one atom
virtual void init()=0
initialize the simulator
virtual void end()=0
end simultor
void updatePositions()
update all current positions and store last positions
Definition Simulator.cpp:44
virtual void createPml(const char *inputFile, const char *pmlFile)=0
Create a pml file from a simulator specific imput file.
virtual ~Simulator()=default
destructor