bse_print.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	bse_print
	Routines for printing information in context of the BSE calculation.

Functions/Subroutines
subroutine, public	bse_print::print_bse_start_flag (bse_tda, bse_abba, unit_nr)
	...
subroutine, public	bse_print::print_output_header (homo, virtual, homo_irred, flag_tda, multiplet, alpha, mp2_env, unit_nr)
	...
subroutine, public	bse_print::print_excitation_energies (exc_ens, homo, virtual, flag_tda, multiplet, info_approximation, mp2_env, unit_nr)
	...
subroutine, public	bse_print::print_transition_amplitudes (fm_eigvec_x, homo, virtual, homo_irred, info_approximation, mp2_env, unit_nr, fm_eigvec_y)
	...
subroutine, public	bse_print::print_optical_properties (exc_ens, oscill_str, trans_mom_bse, polarizability_residues, homo, virtual, homo_irred, flag_tda, info_approximation, mp2_env, unit_nr)
	...
subroutine, public	bse_print::print_exciton_descriptors (exc_descr, ref_point_multipole, unit_nr, num_print_exc_descr, print_checkvalue, print_directional_exc_descr, prefix_output, qs_env)
	Prints exciton descriptors, cf. Mewes et al., JCTC 14, 710-725 (2018)
subroutine, public	bse_print::fm_write_thresh (fm, thresh, header, unit_nr, abs_vals)
	Debug function to write elements of a full matrix to file, if they are larger than a given threshold.