Single configuration state function. More...
Public Member Functions | |
| procedure, public | print => print_csf |
| procedure, public | check_slater => does_it_obey_slater |
Private Attributes | |
| type(csfmanager), pointer | manager |
| Pointer to the creator CSFManager object. More... | |
| type(csforbital), dimension(:), allocatable | orbital |
| List of determinants. More... | |
| integer | num_orbitals |
| integer | id |
| integer | orbital_sequence_number |
| Pointer to mapping of energies. More... | |
| logical | is_continuum |
| Whether this is a continuum function or not. More... | |
| integer | target_symmetry |
| The i discussed in the paper. More... | |
| integer | continuum_symmetry |
| The gamma discussed in the paper. More... | |
| integer | continuum_orbital_idx |
| The j = 1 or 2 discussed in the paper. More... | |
| integer | target_configuration |
| The 'm' discussed in the paper. More... | |
Detailed Description
Single configuration state function.
- Date
- 2017 - 2019
Set of determinants comprising a single configuration state function (CSF). The determinants are represented by instances of the CSFOrbital type.
Definition at line 135 of file CSF_module.F90.
Member Function/Subroutine Documentation
◆ check_slater()
| procedure, public csf_module::csfobject::check_slater |
Definition at line 148 of file CSF_module.F90.
◆ print()
| procedure, public csf_module::csfobject::print |
Definition at line 147 of file CSF_module.F90.
Member Data Documentation
◆ continuum_orbital_idx
|
private |
The j = 1 or 2 discussed in the paper.
Definition at line 144 of file CSF_module.F90.
◆ continuum_symmetry
|
private |
The gamma discussed in the paper.
Definition at line 143 of file CSF_module.F90.
◆ id
|
private |
Definition at line 139 of file CSF_module.F90.
◆ is_continuum
|
private |
Whether this is a continuum function or not.
Definition at line 141 of file CSF_module.F90.
◆ manager
|
private |
Pointer to the creator CSFManager object.
Definition at line 136 of file CSF_module.F90.
◆ num_orbitals
|
private |
Definition at line 138 of file CSF_module.F90.
◆ orbital
|
private |
List of determinants.
Definition at line 137 of file CSF_module.F90.
◆ orbital_sequence_number
|
private |
Pointer to mapping of energies.
Definition at line 140 of file CSF_module.F90.
◆ target_configuration
|
private |
The 'm' discussed in the paper.
Definition at line 145 of file CSF_module.F90.
◆ target_symmetry
|
private |
The i discussed in the paper.
Definition at line 142 of file CSF_module.F90.
The documentation for this type was generated from the following file:
- /home/jakub/Dokumenty/codes/ukrmol-in-git/source/mpi-ci-diag/Modules/Hamiltonian/CSF_module.F90
