Matrix associated with a disk drive. More...
Public Member Functions | |
| procedure, public | print print_writer |
| procedure, public | finalize_matrix_self finalize_matrix_writer |
| procedure, public | set_options (this, option_val) |
| Initialize the matrix cache using the Options object. | |
| procedure, public | get_matelem_self get_matelem_writer |
| procedure, public | clear_matrix clear_writer |
| procedure, public | destroy_matrix destroy_writer |
| procedure, public | write_cache_to_unit (this) |
| Write matrix chunk to file. | |
| procedure, public | insert_into_diag_matrix (this, row, column, coefficient) |
| Insert matrix element. | |
| procedure, public | get_matrix_unit (this) |
| Return Hamiltonian disk file unit. | |
Public Attributes | |
| type(matrixcache) | write_cache |
| This cache holds the temprorary matrix values before they are sent to the relevant process. This cache holds what each process requires for SCALAPACK diagonalization. | |
| integer | num_elements_per_record |
| integer | matrix_unit |
Detailed Description
Matrix associated with a disk drive.
- Date
- 2017
This type is used for construction of the final Hamiltonian matrix. It allows continuous insertion of matrix elements, which are periodically flushed (as individual "records") to the matrix disk file unit in order to maintain reasonable consumption of memory.
Definition at line 56 of file WriterMatrix_module.f90.
Member Function/Subroutine Documentation
◆ clear_matrix()
| procedure, public WriterMatrix_module::WriterMatrix::clear_matrix |
Definition at line 68 of file WriterMatrix_module.f90.
◆ destroy_matrix()
| procedure, public WriterMatrix_module::WriterMatrix::destroy_matrix |
Definition at line 69 of file WriterMatrix_module.f90.
◆ finalize_matrix_self()
| procedure, public WriterMatrix_module::WriterMatrix::finalize_matrix_self |
Definition at line 65 of file WriterMatrix_module.f90.
◆ get_matelem_self()
| procedure, public WriterMatrix_module::WriterMatrix::get_matelem_self |
Definition at line 67 of file WriterMatrix_module.f90.
◆ get_matrix_unit()
| procedure, public WriterMatrix_module::WriterMatrix::get_matrix_unit | ( | class(writermatrix) | this | ) |
◆ insert_into_diag_matrix()
| procedure, public WriterMatrix_module::WriterMatrix::insert_into_diag_matrix | ( | class(writermatrix) | this, |
| integer, intent(in) | row, | ||
| integer, intent(in) | column, | ||
| real(wp), intent(in) | coefficient ) |
Insert matrix element.
- Date
- 2017
This inserts an element into the hard storage which is considered the final location before diagonalization. It also checks wherther the element exists within the allowed range and tells us if it was successfully inserted. Elements smaller than a specific threshold will be ignored. When the limit size of the cache is reached, it is emptied (appended) to the Hamiltonian disk file.
Definition at line 71 of file WriterMatrix_module.f90.
◆ print()
| procedure, public WriterMatrix_module::WriterMatrix::print |
Definition at line 64 of file WriterMatrix_module.f90.
◆ set_options()
| procedure, public WriterMatrix_module::WriterMatrix::set_options | ( | class(writermatrix) | this, |
| class(options), intent(in) | option_val ) |
Initialize the matrix cache using the Options object.
- Date
- 2017
Definition at line 66 of file WriterMatrix_module.f90.
◆ write_cache_to_unit()
| procedure, public WriterMatrix_module::WriterMatrix::write_cache_to_unit | ( | class(writermatrix) | this | ) |
Write matrix chunk to file.
- Date
- 2017
Unless the element cache is empty, this subroutine flushes the elements in cache to the Hamiltonian disk file unit as a new record. The matrix element cache is empty on return from this subroutine.
Definition at line 70 of file WriterMatrix_module.f90.
Member Data Documentation
◆ matrix_unit
| integer WriterMatrix_module::WriterMatrix::matrix_unit |
Definition at line 62 of file WriterMatrix_module.f90.
◆ num_elements_per_record
| integer WriterMatrix_module::WriterMatrix::num_elements_per_record |
Definition at line 61 of file WriterMatrix_module.f90.
◆ write_cache
| type(matrixcache) WriterMatrix_module::WriterMatrix::write_cache |
This cache holds the temprorary matrix values before they are sent to the relevant process. This cache holds what each process requires for SCALAPACK diagonalization.
Definition at line 59 of file WriterMatrix_module.f90.
The documentation for this type was generated from the following file:
- /scratch.ssd/codes/ukrmol-in-git/source/mpi-ci-diag/Modules/Matrix/WriterMatrix_module.f90
