RMT molecular data file. More...
Public Member Functions | |
| final | destruct_molecular_data |
Public Attributes | |
| real(real64), dimension(:,:,:), allocatable | dipx |
| real(real64), dimension(:,:,:), allocatable | dipy |
| real(real64), dimension(:,:,:), allocatable | dipz |
| integer(int32), dimension(:), allocatable | iidipx |
| integer(int32), dimension(:), allocatable | iidipy |
| integer(int32), dimension(:), allocatable | iidipz |
| integer(int32), dimension(:), allocatable | ifdipx |
| integer(int32), dimension(:), allocatable | ifdipy |
| integer(int32), dimension(:), allocatable | ifdipz |
| real(real64) | rmatr |
| real(real64), dimension(:,:,:), allocatable | crlv |
| real(real64), dimension(:,:), allocatable | eig |
| real(real64), dimension(:,:,:), allocatable | wamp |
| real(real64), dimension(:), allocatable | rg |
| real(real64), dimension(:), allocatable | etarg |
| real(real64), dimension(:, :, :), allocatable | gaunt |
| integer(int32), dimension(:), allocatable | mgvns |
| integer(int32), dimension(:), allocatable | mnp1 |
| integer(int32), dimension(:), allocatable | nchan |
| integer(int32), dimension(:,:), allocatable | l2p |
| integer(int32), dimension(:,:), allocatable | m2p |
| integer(int32), dimension(:,:), allocatable | ichl |
| integer(int32), dimension(:,:), allocatable | lm_rg |
Detailed Description
RMT molecular data file.
- Date
- 2020
This data structure contains data read from the molecular_data file produced by RMT_INTERFACE. Only a subset of values needed by this program is stored in memory. This in particular includes the inner and outer region transition dipole elements, boundary amplitudes and angular integrals of the real spherical harmonics.
When the code is compiled with the WITH_MMAP=1 option, the dipole matrices will not be read into memory, but only mapped to the virtual memory.
Definition at line 90 of file multidip_io.F90.
Member Function/Subroutine Documentation
◆ destruct_molecular_data()
|
final |
Member Data Documentation
◆ crlv
| real(real64), dimension(:,:,:), allocatable multidip_io::MolecularData::crlv |
Definition at line 108 of file multidip_io.F90.
◆ dipx
| real(real64), dimension(:,:,:), allocatable multidip_io::MolecularData::dipx |
Definition at line 96 of file multidip_io.F90.
◆ dipy
| real(real64), dimension(:,:,:), allocatable multidip_io::MolecularData::dipy |
Definition at line 96 of file multidip_io.F90.
◆ dipz
| real(real64), dimension(:,:,:), allocatable multidip_io::MolecularData::dipz |
Definition at line 96 of file multidip_io.F90.
◆ eig
| real(real64), dimension(:,:), allocatable multidip_io::MolecularData::eig |
Definition at line 108 of file multidip_io.F90.
◆ etarg
| real(real64), dimension(:), allocatable multidip_io::MolecularData::etarg |
Definition at line 108 of file multidip_io.F90.
◆ gaunt
| real(real64), dimension(:, :, :), allocatable multidip_io::MolecularData::gaunt |
Definition at line 108 of file multidip_io.F90.
◆ ichl
| integer(int32), dimension(:,:), allocatable multidip_io::MolecularData::ichl |
Definition at line 109 of file multidip_io.F90.
◆ ifdipx
| integer(int32), dimension(:), allocatable multidip_io::MolecularData::ifdipx |
Definition at line 99 of file multidip_io.F90.
◆ ifdipy
| integer(int32), dimension(:), allocatable multidip_io::MolecularData::ifdipy |
Definition at line 99 of file multidip_io.F90.
◆ ifdipz
| integer(int32), dimension(:), allocatable multidip_io::MolecularData::ifdipz |
Definition at line 99 of file multidip_io.F90.
◆ iidipx
| integer(int32), dimension(:), allocatable multidip_io::MolecularData::iidipx |
Definition at line 98 of file multidip_io.F90.
◆ iidipy
| integer(int32), dimension(:), allocatable multidip_io::MolecularData::iidipy |
Definition at line 98 of file multidip_io.F90.
◆ iidipz
| integer(int32), dimension(:), allocatable multidip_io::MolecularData::iidipz |
Definition at line 98 of file multidip_io.F90.
◆ l2p
| integer(int32), dimension(:,:), allocatable multidip_io::MolecularData::l2p |
Definition at line 109 of file multidip_io.F90.
◆ lm_rg
| integer(int32), dimension(:,:), allocatable multidip_io::MolecularData::lm_rg |
Definition at line 109 of file multidip_io.F90.
◆ m2p
| integer(int32), dimension(:,:), allocatable multidip_io::MolecularData::m2p |
Definition at line 109 of file multidip_io.F90.
◆ mgvns
| integer(int32), dimension(:), allocatable multidip_io::MolecularData::mgvns |
Definition at line 109 of file multidip_io.F90.
◆ mnp1
| integer(int32), dimension(:), allocatable multidip_io::MolecularData::mnp1 |
Definition at line 109 of file multidip_io.F90.
◆ nchan
| integer(int32), dimension(:), allocatable multidip_io::MolecularData::nchan |
Definition at line 109 of file multidip_io.F90.
◆ rg
| real(real64), dimension(:), allocatable multidip_io::MolecularData::rg |
Definition at line 108 of file multidip_io.F90.
◆ rmatr
| real(real64) multidip_io::MolecularData::rmatr |
Definition at line 107 of file multidip_io.F90.
◆ wamp
| real(real64), dimension(:,:,:), allocatable multidip_io::MolecularData::wamp |
Definition at line 108 of file multidip_io.F90.
The documentation for this type was generated from the following file:
