hamilt.h

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#ifndef MODULEHAMILT_H
#define MODULEHAMILT_H
 
#include <complex>
#include <vector>
 
#include "matrixblock.h"
#include "source_psi/psi.h"
#include "operator.h"
 
namespace hamilt
{
 
template <typename T, typename Device = base_device::DEVICE_CPU>
class Hamilt
{
  public:
    virtual ~Hamilt(){};
 
    virtual void updateHk(const int ik){return;}
 
    virtual void refresh(void){return;}
 
    virtual void hPsi(
            const T* psi_in, 
            T* hpsi, 
            const size_t size) const
    {
        return;
    }
 
    virtual void sPsi(const T* psi_in, // psi
                      T* spsi,         // spsi
                      const int nrow,  // dimension of spsi: nbands * nrow
                      const int npw,   // number of plane waves
                      const int nbands // number of bands
    ) const
    {
        syncmem_op()(spsi, psi_in, static_cast<size_t>(nbands * nrow));
    }
 
    virtual void matrix(
            MatrixBlock<std::complex<double>> &hk_in, 
            MatrixBlock<std::complex<double>> &sk_in){return;}
 
    virtual void matrix(
            MatrixBlock<double> &hk_in, 
            MatrixBlock<double> &sk_in){return;}
 
    virtual std::vector<T> matrix() { return std::vector<T>(); }
 
    std::string classname = "none";
 
    int non_first_scf=0;
 
    Operator<T, Device>* ops = nullptr;
 
protected:
 
    Device* ctx = {};
    using syncmem_op = base_device::memory::synchronize_memory_op<T, Device, Device>;
};
 
} // namespace hamilt
 
#endif