MPI-SCATCI 2.0
An MPI version of SCATCI
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SolutionHandler_module.F90 File Reference

Go to the source code of this file.

Data Types

type  SolutionHandler_module::SolutionHandler
 Solution writer. More...

Modules

module  SolutionHandler_module
 Solution handler module.

Functions/Subroutines

subroutine SolutionHandler_module::construct (this, opts)
 Set up solution handler.
subroutine SolutionHandler_module::destroy (this)
 Release resources.
subroutine SolutionHandler_module::write_header_sol (this, option, integrals)
 Start writing eigenvector record.
subroutine SolutionHandler_module::export_header_sol (this, option, integrals)
 Write basic information into a CI vector.
subroutine SolutionHandler_module::shift_eigenvalues (this, output_eigenvalues, num_eigenpairs)
 Shift eigenvalues according to the NAMELIST input ESHIFT.
subroutine SolutionHandler_module::write_eigenvalues (this, eigenvalues, diagonals, num_eigenpairs, vec_dimen)
 Save Hamiltonian eigen-energies to disk file.
subroutine SolutionHandler_module::export_eigenvalues (this, eigenvalues, diagonals, num_eigenpairs, vec_dimen, ei, iphz)
 Write eigevalues and phases to supplied arrays.
subroutine SolutionHandler_module::write_eigenvector (this, eigenvector, vec_dimen)
 Save Hamiltonian eigen-vectors to disk file.
subroutine SolutionHandler_module::read_from_file (this, option)
 Import eigensolution from file.
subroutine SolutionHandler_module::finalize_solutions_sol (this, option)
 Finalize writing the eigenvector disk file.