26#ifndef SIMULATOR_NONINTERACTIVESIMULATOR_H
27#define SIMULATOR_NONINTERACTIVESIMULATOR_H
50 void end()
override = 0;
64 void createPml(
const char* inputFile,
const char* pmlFile)
override = 0;
Manager of the benchmark tests.
Definition MonitoringManager.h:50
void createPml(const char *inputFile, const char *pmlFile) override=0
Create a pml file from an imput file.
void getPosition(int index, double position[3]) override=0
get current position for one atom (use parameters)
virtual int getMaxStep()=0
get the number of steps after simulation
void end() override=0
end simultor
virtual double getTime(int step)=0
get the time of simulation of a given step
NonInteractiveSimulator(MonitoringManager *monitoringManager)
constructor
Definition NonInteractiveSimulator.cpp:29
~NonInteractiveSimulator() override=default
destructor
virtual bool doCalc()=0
make entire simulation ans store results of all step
void init() override=0
initialize simulator
Simulator(MonitoringManager *monitoringManager)
default constructor build a simulation from context provided by monitoringManager
Definition Simulator.cpp:29
MonitoringManager * monitoringManager
monitoring manager
Definition Simulator.h:84