mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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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__