ISubspaceSolver.h

#ifndef LINEARALGEBRA_SRC_MOLPRO_LINALG_ITSOLV_SUBSPACE_ISUBSPACESOLVER_H
#define LINEARALGEBRA_SRC_MOLPRO_LINALG_ITSOLV_SUBSPACE_ISUBSPACESOLVER_H
#include <molpro/linalg/array/ArrayHandler.h>
#include <molpro/linalg/itsolv/subspace/IXSpace.h>
 
namespace molpro::linalg::itsolv::subspace {
 
template <class RT, class QT, class PT>
struct ISubspaceSolver {
  using R = RT;
  using Q = QT;
  using P = PT;
  using value_type = typename array::ArrayHandler<R, R>::value_type;
  using value_type_abs = typename array::ArrayHandler<R, R>::value_type_abs;
  virtual ~ISubspaceSolver() = default;
 
  virtual void solve(IXSpace<R, Q, P>& xspace, size_t nroots_max) = 0;
 
  virtual void set_error(int root, value_type_abs error) = 0;
  virtual void set_error(const std::vector<int>& roots, const std::vector<value_type_abs>& errors) = 0;
  virtual const Matrix<value_type>& solutions() const = 0;
  virtual const std::vector<value_type>& eigenvalues() const = 0;
  virtual const std::vector<value_type_abs>& errors() const = 0;
  virtual size_t size() const = 0;
};
 
} // namespace molpro::linalg::itsolv::subspace
#endif // LINEARALGEBRA_SRC_MOLPRO_LINALG_ITSOLV_SUBSPACE_ISUBSPACESOLVER_H