mcpele  1.0.0
The Monte Carlo Python Energy Landscape Explorer
mcpele/check_spherical_container.h
00001 #ifndef _MCPELE_CHECK_SPHERICAL_CONTAINER_H__
00002 #define _MCPELE_CHECK_SPHERICAL_CONTAINER_H__
00003 
00004 #include <iostream>
00005 #include <cmath>
00006 #include <algorithm>
00007 #include <random>
00008 #include <chrono>
00009 
00010 #include "pele/array.h"
00011 #include "pele/optimizer.h"
00012 #include "pele/distance.h"
00013 
00014 #include "mc.h"
00015 
00016 namespace mcpele {
00017 
00018 class CheckSphericalContainer : public ConfTest {
00019 protected:
00020     double m_radius2;
00021     size_t m_ndim;
00022 public:
00023     CheckSphericalContainer(const double radius, const size_t ndim);
00024     virtual bool conf_test(pele::Array<double> &trial_coords, MC * mc);
00025     virtual ~CheckSphericalContainer() {}
00026 };
00027 
00028 } // namespace mcpele
00029 
00030 #endif // #ifndef _MCPELE_CHECK_SPHERICAL_CONTAINER_H__
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