DIPELM 2.0
Loading...
Searching...
No Matches
/scratch.ssd/codes/ukrmol-out-git/source/dipelm/dipole_tools.f90 File Reference

Data Types

type  properties_file_mod::properties_file_obj

Modules

module  properties_file_mod

Functions/Subroutines

subroutine properties_file_mod::load_file (this, path)
subroutine properties_file_mod::final (this)
subroutine properties_file_mod::get_properties (this, lmaxprop, prop, state_energies, absolute_to_relative)
 All properties with L <= lmaxprop will be read-in.
subroutine properties_file_mod::get_state_dipoles (this, state_num, state_sym, state_spin, n_states, dipole_table, state_energy, state_index_map)
subroutine properties_file_mod::get_single_property (this, lp, mp, dipsto, iidip, ifdip, intr, state_energies, absolute_to_relative)
 A single property with the given L,M will be read-in. The output data have the structure required by RMT.
program dipoles_hhg
subroutine get_geometry (dyson_orbitals, atom_xyz, atom_name, n_atoms)

Variables

integer, parameter properties_file_mod::n_keys = 8
 Parameters used by properties_file_obj.
integer, parameter properties_file_mod::maxl = 8
integer, parameter properties_file_mod::max_symmetries = 8
 Maximum number of N+1 symmetries.
integer, parameter properties_file_mod::max_spin = 4

Function/Subroutine Documentation

◆ dipoles_hhg()

program dipoles_hhg
Here is the call graph for this function:

◆ get_geometry()

subroutine dipoles_hhg::get_geometry ( type(molecular_orbital_basis_obj), intent(in) dyson_orbitals,
real(kind=idp), dimension(:,:), allocatable atom_xyz,
character(len=nuc_nam_len), dimension(:), allocatable atom_name,
integer, intent(out) n_atoms )
Here is the call graph for this function: