Multidip  1.0
Multi-photon matrix elements
Public Attributes | List of all members
multidip_io::moleculardata Type Reference

RMT molecular data file. More...

Collaboration diagram for multidip_io::moleculardata:
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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
 

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.

◆ 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.

◆ 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: