MPI-SCATCI
2.0
An MPI version of SCATCI
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Go to the source code of this file.
Data Types | |
type | diagonalizerresult_module::diagonalizerresult |
Output from diagonalization. More... | |
interface | diagonalizerresult_module::handle_eigenvalues |
Main build routine of the hamiltonian. More... | |
interface | diagonalizerresult_module::handle_eigenvector |
Main build routine of the hamiltonian. More... | |
interface | diagonalizerresult_module::export_eigenvalues |
build routine of the hamiltonian More... | |
Modules | |
module | diagonalizerresult_module |
Diagonalizer result data object. | |
Functions/Subroutines | |
subroutine | diagonalizerresult_module::export_header (this, option, integrals) |
Save eigenvector information internally. More... | |
subroutine | diagonalizerresult_module::write_header (this, option, integrals) |
Save eigenvector information to disk. More... | |
subroutine | diagonalizerresult_module::finalize_solutions (this, option) |
Finalize saving eigenvector information to disk. More... | |