multidip_io.F90 File Reference

Go to the source code of this file.

Data Types
type	multidip_io::kmatrix
	K-matrix file. More...
type	multidip_io::scatakcoeffs
	Photoionization wave function coefficients. More...
type	multidip_io::mappedmatrix
	Auxiliary data structure for matrix (potentially memory-mapped, or distributed) More...
type	multidip_io::moleculardata
	RMT molecular data file. More...

Modules
module	multidip_io
	I/O routines used by MULTIDIP.

Functions/Subroutines
subroutine	multidip_io::load_mapped_matrix (this, filename, u, offset, rows, cols)
	Read or map a matrix from file. More...
subroutine	multidip_io::destruct_mapped_matrix (this)
	Finalize a (potentially mapped) matrix object. More...
subroutine	multidip_io::read_kmatrices (km, lukmt, nkset)
	Read K-matrix files. More...
subroutine	multidip_io::read_kmatrix_file (km)
	Read K-matrix file. More...
subroutine	multidip_io::reset_kmatrix_position (km, skip)
	Reset I/O pointer to start of K-matrices. More...
subroutine	multidip_io::get_kmatrix (km, kmat, skip)
	Read single K-matrix from the K-matrix file. More...
subroutine	multidip_io::read_wfncoeffs (ak, lusct)
	Read wave function coefficients from files. More...
subroutine	multidip_io::read_bndcoeffs (bnd, Ei, lubnd, mgvn0, stot0)
	Read inner bound wave function coefficients. More...
subroutine	multidip_io::read_wfncoeffs_file (ak)
	Read wave function coefficients for a single symmetry from a file. More...
subroutine	multidip_io::reset_wfncoeffs_position (ak, skip)
	Reset I/O pointer to start of Ak-coeffs. More...
subroutine	multidip_io::get_wfncoeffs (ak, E, Re_Ak, Im_Ak, skip)
	Read single Ak-matrix from the Ak-coeffs file. More...
subroutine	multidip_io::read_molecular_data (moldat, filename, mpiio, read_wmat2)
	Read RMT molecular_data file. More...
subroutine	multidip_io::setup_angular_integrals (moldat)
	Store the angular integrals in a more convenient shape. More...
subroutine	multidip_io::get_diptrans (moldat, I, iidip, ifdip)
	Return dipole transition descriptors. More...
subroutine	multidip_io::apply_dipole_matrix (moldat, component, irrpair, transp, nf, nn, X, Y)
	Multiply by dipole matrix. More...
subroutine	multidip_io::assert_status (message, errcode)
	Check for error code. More...
integer function	multidip_io::clip (x, a, b)
	Clamp value in range. More...
subroutine	multidip_io::apply_boundary_amplitudes (moldat, irr, transp, X, Y)
	Multiply by boundary amplitudes. More...
subroutine	multidip_io::scale_boundary_amplitudes (moldat, irr, v, vw)
	Scale boundary amplitudes matrix by a diagonal matrix. More...
subroutine	multidip_io::write_energy_grid (escat)
	Write photoelectron energies to file. More...
subroutine	multidip_io::write_partial_wave_moments (moldat, M, nesc, suffix)
	Write partial wave moments. More...
subroutine	multidip_io::write_raw_dipoles (M, chains, nesc, stem)
	Write raw transition dipole moments. More...
subroutine	multidip_io::write_cross_section (cs, nesc, erange, filename)
	Write cross sections to a file. More...

Variables
integer	multidip_io::myproc = 1
integer	multidip_io::nprocs = 1