MPI-SCATCI  2.0
An MPI version of SCATCI
SolutionHandler_module.f90 File Reference

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