diagonalizerresult_module Module Reference

Diagonalizer result data object. More...

Data Types
type	diagonalizerresult
	Output from diagonalization. More...
interface	export_eigenvalues
	build routine of the hamiltonian More...
interface	handle_eigenvalues
	Main build routine of the hamiltonian. More...
interface	handle_eigenvector
	Main build routine of the hamiltonian. More...

Functions/Subroutines
subroutine	export_header (this, option, integrals)
	Save eigenvector information internally. More...
subroutine	write_header (this, option, integrals)
	Save eigenvector information to disk. More...
subroutine	finalize_solutions (this, option)
	Finalize saving eigenvector information to disk. More...

Detailed Description

Diagonalizer result data object.

Authors

A Al-Refaie

Date

2017

Note

16/01/2019 - Jakub Benda: Unifom coding style and expanded documentation.

Function/Subroutine Documentation

export_header()

subroutine diagonalizerresult_module::export_header	(	class(diagonalizerresult)	this,
		class(options), intent(in)	option,
		class(baseintegral), intent(in)	integrals
	)

Save eigenvector information internally.

Authors

J Benda

Date

2019

This dummy function is expected to be overridden by derived types that support passing the eigensolution to CDENPROP. This is used in SolutionHandler_module::SolutionHandler after the main diagonalization.

Definition at line 124 of file DiagonalizerResult_module.f90.

finalize_solutions()

subroutine diagonalizerresult_module::finalize_solutions ( class(diagonalizerresult)  this, class(options), intent(in)  option  )

private

Finalize saving eigenvector information to disk.

Authors

J Benda

Date

2019

This dummy function is expected to be overridden by derived types that support writing the eigensolution to disk file. This is used in SolutionHandler_module::SolutionHandler after the main diagonalization.

Definition at line 154 of file DiagonalizerResult_module.f90.

write_header()

subroutine diagonalizerresult_module::write_header ( class(diagonalizerresult)  this, class(options), intent(in)  option, class(baseintegral), intent(in)  integrals  )

private

Save eigenvector information to disk.

Authors

J Benda

Date

2019

This dummy function is expected to be overridden by derived types that support writing the eigensolution to disk file. This is used in SolutionHandler_module::SolutionHandler after the main diagonalization.

Definition at line 139 of file DiagonalizerResult_module.f90.