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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. | |
| subroutine | DiagonalizerResult_module::write_header (this, option, integrals) |
| Save eigenvector information to disk. | |
| subroutine | DiagonalizerResult_module::finalize_solutions (this, option) |
| Finalize saving eigenvector information to disk. | |