Solution writer. More...

Inheritance diagram for solutionhandler_module::solutionhandler:

Collaboration diagram for solutionhandler_module::solutionhandler:

Public Member Functions
procedure, public	construct

procedure, public	write_header => write_header_sol

procedure, public	export_header => export_header_sol

procedure, public	export_eigenvalues

procedure, public	shift_eigenvalues

procedure, public	handle_eigenvalues => write_eigenvalues

procedure, public	handle_eigenvector => write_eigenvector

procedure, public	finalize_solutions => finalize_solutions_sol

procedure, public	destroy

Public Member Functions inherited from diagonalizerresult_module::diagonalizerresult
procedure(handle_eigenvalues), deferred, public	handle_eigenvalues

procedure(handle_eigenvector), deferred, public	handle_eigenvector

procedure(export_eigenvalues), deferred, public	export_eigenvalues

Public Attributes
integer	io_unit = 25

integer	symmetry_type

integer	num_eigenpairs

real(wp), dimension(:), allocatable	energy_shifts

real(wp)	core_energy

real(wp)	energy_shift

integer, dimension(:), allocatable	phase

integer	size_phase

integer	vec_dimen

integer	nciset

integer	current_eigenvector = 0

integer	print_all_eigs = 0

Detailed Description

Solution writer.

Authors: A Al-Refaie, J Benda

Date: 2017 - 2019

Provides a comfortable interface to eigenvector disk output. By default writes the fort.25 file.

Definition at line 56 of file SolutionHandler_module.f90.

Member Function/Subroutine Documentation

◆ construct()

procedure, public solutionhandler_module::solutionhandler::construct

Definition at line 70 of file SolutionHandler_module.f90.

◆ destroy()

procedure, public solutionhandler_module::solutionhandler::destroy

Definition at line 78 of file SolutionHandler_module.f90.

◆ export_eigenvalues()

procedure, public solutionhandler_module::solutionhandler::export_eigenvalues

Definition at line 73 of file SolutionHandler_module.f90.

◆ export_header()

procedure, public solutionhandler_module::solutionhandler::export_header

Definition at line 72 of file SolutionHandler_module.f90.

◆ finalize_solutions()

procedure, public solutionhandler_module::solutionhandler::finalize_solutions

Definition at line 77 of file SolutionHandler_module.f90.

◆ handle_eigenvalues()

procedure, public solutionhandler_module::solutionhandler::handle_eigenvalues

Definition at line 75 of file SolutionHandler_module.f90.

◆ handle_eigenvector()

procedure, public solutionhandler_module::solutionhandler::handle_eigenvector

Definition at line 76 of file SolutionHandler_module.f90.

◆ shift_eigenvalues()

procedure, public solutionhandler_module::solutionhandler::shift_eigenvalues

Definition at line 74 of file SolutionHandler_module.f90.

◆ write_header()

procedure, public solutionhandler_module::solutionhandler::write_header

Definition at line 71 of file SolutionHandler_module.f90.

Member Data Documentation

◆ core_energy

real(wp) solutionhandler_module::solutionhandler::core_energy

Definition at line 61 of file SolutionHandler_module.f90.

◆ current_eigenvector

integer solutionhandler_module::solutionhandler::current_eigenvector = 0

Definition at line 67 of file SolutionHandler_module.f90.

◆ energy_shift

real(wp) solutionhandler_module::solutionhandler::energy_shift

Definition at line 62 of file SolutionHandler_module.f90.

◆ energy_shifts

real(wp), dimension(:), allocatable solutionhandler_module::solutionhandler::energy_shifts

Definition at line 60 of file SolutionHandler_module.f90.

◆ io_unit

integer solutionhandler_module::solutionhandler::io_unit = 25

Definition at line 57 of file SolutionHandler_module.f90.

◆ nciset

integer solutionhandler_module::solutionhandler::nciset

Definition at line 66 of file SolutionHandler_module.f90.

◆ num_eigenpairs

integer solutionhandler_module::solutionhandler::num_eigenpairs

Definition at line 59 of file SolutionHandler_module.f90.

◆ phase

integer, dimension(:), allocatable solutionhandler_module::solutionhandler::phase

Definition at line 63 of file SolutionHandler_module.f90.

◆ print_all_eigs

integer solutionhandler_module::solutionhandler::print_all_eigs = 0

Definition at line 68 of file SolutionHandler_module.f90.

◆ size_phase

integer solutionhandler_module::solutionhandler::size_phase

Definition at line 64 of file SolutionHandler_module.f90.

◆ symmetry_type

integer solutionhandler_module::solutionhandler::symmetry_type

Definition at line 58 of file SolutionHandler_module.f90.

◆ vec_dimen

integer solutionhandler_module::solutionhandler::vec_dimen

Definition at line 65 of file SolutionHandler_module.f90.

The documentation for this type was generated from the following file:

/home/jakub/Dokumenty/codes/ukrmol-in-git/source/mpi-ci-diag/Modules/Hamiltonian/SolutionHandler_module.f90

Public Member Functions

Public Attributes