1 #ifndef QNANO_NEW_EIGENVECTOR_PRINTER_SLEPC_DEFINED_H 2 #define QNANO_NEW_EIGENVECTOR_PRINTER_SLEPC_DEFINED_H 5 #include "tools/Eigenvector_Printer.h" 6 #include "slepc/SLEPc_Solver.h" 12 int MPI_rank, MPI_size;
20 void setup_local_orb_blocks();
46 void check_fully_initialized()
const;
48 virtual int get_n_converged()
const;
49 virtual double get_eigenvalue(
int i)
const;
53 virtual void print_eigenvalues()
const;
54 virtual void print_eigenvector(
int i)
const;
55 virtual void print_eigenvector_Kramers(
int i)
const;
61 std::complex<double> &alpha, std::complex<double> &beta,
int i)
const;
62 virtual std::complex<double> calculate_max_phase_factor( \
63 std::complex<double> alpha, std::complex<double> beta,
int i)
const;
Definition: Organize_Blocks.h:13
Definition: Parameter_Map.h:12
Definition: Eigenvector_Printer_SLEPc.h:10
Organize_Blocks_By_List local_orb_blocks
contains blocksizes for the atoms stored on the local node
Definition: Eigenvector_Printer_SLEPc.h:19
Definition: SLEPc_Solver.h:12
Definition: Organize_Blocks.h:86
bool has_Kramers_partner(int i) const
Kramers part:
Definition: Eigenvector_Printer_SLEPc.cc:66
Definition: Eigenvector_Printer.h:8
virtual void calculate_alpha_beta_Kramers_sz(std::complex< double > &alpha, std::complex< double > &beta, int i) const
Definition: Eigenvector_Printer_SLEPc.cc:127