Multidip 1.0
Multi-photon matrix elements
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multidip_io::MolecularData Type Reference

RMT molecular data file. More...

Public Attributes

type(mappedmatrix), dimension(:), allocatable dipx
type(mappedmatrix), dimension(:), allocatable dipy
type(mappedmatrix), 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
type(mappedmatrix), dimension(:), allocatable wamp
type(mappedmatrix), dimension(:, :), allocatable wmat2
integer(int32) nelc
integer(int32) nz
real(real64) rmatr
real(real64), dimension(:,:,:), allocatable crlv
real(real64), dimension(:,:), allocatable eig
real(real64), dimension(:), allocatable rg
real(real64), dimension(:), allocatable etarg
real(real64), dimension(:, :, :), allocatable gaunt
real(real64), dimension(:), allocatable r_points
integer(int32), dimension(:), allocatable mgvns
integer(int32), dimension(:), allocatable stot
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
integer(int32), dimension(:), allocatable ltarg
integer(int32), dimension(:), allocatable starg

Detailed Description

RMT molecular data file.

Author
J Benda
Date
2020 - 2023

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.

When the code is compiled with ScaLAPACK support, the large inner dipole matrices will be distributed in the standard block-cyclic fashion.

Definition at line 126 of file multidip_io.F90.

Member Data Documentation

◆ crlv

real(real64), dimension(:,:,:), allocatable multidip_io::MolecularData::crlv

Definition at line 142 of file multidip_io.F90.

◆ dipx

type(mappedmatrix), dimension(:), allocatable multidip_io::MolecularData::dipx

Definition at line 129 of file multidip_io.F90.

◆ dipy

type(mappedmatrix), dimension(:), allocatable multidip_io::MolecularData::dipy

Definition at line 129 of file multidip_io.F90.

◆ dipz

type(mappedmatrix), dimension(:), allocatable multidip_io::MolecularData::dipz

Definition at line 129 of file multidip_io.F90.

◆ eig

real(real64), dimension(:,:), allocatable multidip_io::MolecularData::eig

Definition at line 142 of file multidip_io.F90.

◆ etarg

real(real64), dimension(:), allocatable multidip_io::MolecularData::etarg

Definition at line 142 of file multidip_io.F90.

◆ gaunt

real(real64), dimension(:, :, :), allocatable multidip_io::MolecularData::gaunt

Definition at line 142 of file multidip_io.F90.

◆ ichl

integer(int32), dimension(:,:), allocatable multidip_io::MolecularData::ichl

Definition at line 143 of file multidip_io.F90.

◆ ifdipx

integer(int32), dimension(:), allocatable multidip_io::MolecularData::ifdipx

Definition at line 131 of file multidip_io.F90.

◆ ifdipy

integer(int32), dimension(:), allocatable multidip_io::MolecularData::ifdipy

Definition at line 131 of file multidip_io.F90.

◆ ifdipz

integer(int32), dimension(:), allocatable multidip_io::MolecularData::ifdipz

Definition at line 131 of file multidip_io.F90.

◆ iidipx

integer(int32), dimension(:), allocatable multidip_io::MolecularData::iidipx

Definition at line 130 of file multidip_io.F90.

◆ iidipy

integer(int32), dimension(:), allocatable multidip_io::MolecularData::iidipy

Definition at line 130 of file multidip_io.F90.

◆ iidipz

integer(int32), dimension(:), allocatable multidip_io::MolecularData::iidipz

Definition at line 130 of file multidip_io.F90.

◆ l2p

integer(int32), dimension(:,:), allocatable multidip_io::MolecularData::l2p

Definition at line 143 of file multidip_io.F90.

◆ lm_rg

integer(int32), dimension(:,:), allocatable multidip_io::MolecularData::lm_rg

Definition at line 143 of file multidip_io.F90.

◆ ltarg

integer(int32), dimension(:), allocatable multidip_io::MolecularData::ltarg

Definition at line 144 of file multidip_io.F90.

◆ m2p

integer(int32), dimension(:,:), allocatable multidip_io::MolecularData::m2p

Definition at line 143 of file multidip_io.F90.

◆ mgvns

integer(int32), dimension(:), allocatable multidip_io::MolecularData::mgvns

Definition at line 143 of file multidip_io.F90.

◆ mnp1

integer(int32), dimension(:), allocatable multidip_io::MolecularData::mnp1

Definition at line 143 of file multidip_io.F90.

◆ nchan

integer(int32), dimension(:), allocatable multidip_io::MolecularData::nchan

Definition at line 143 of file multidip_io.F90.

◆ nelc

integer(int32) multidip_io::MolecularData::nelc

Definition at line 138 of file multidip_io.F90.

◆ nz

integer(int32) multidip_io::MolecularData::nz

Definition at line 138 of file multidip_io.F90.

◆ r_points

real(real64), dimension(:), allocatable multidip_io::MolecularData::r_points

Definition at line 142 of file multidip_io.F90.

◆ rg

real(real64), dimension(:), allocatable multidip_io::MolecularData::rg

Definition at line 142 of file multidip_io.F90.

◆ rmatr

real(real64) multidip_io::MolecularData::rmatr

Definition at line 141 of file multidip_io.F90.

◆ starg

integer(int32), dimension(:), allocatable multidip_io::MolecularData::starg

Definition at line 144 of file multidip_io.F90.

◆ stot

integer(int32), dimension(:), allocatable multidip_io::MolecularData::stot

Definition at line 143 of file multidip_io.F90.

◆ wamp

type(mappedmatrix), dimension(:), allocatable multidip_io::MolecularData::wamp

Definition at line 134 of file multidip_io.F90.

◆ wmat2

type(mappedmatrix), dimension(:, :), allocatable multidip_io::MolecularData::wmat2

Definition at line 135 of file multidip_io.F90.

The documentation for this type was generated from the following file: