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Module `TBModel_DFTB_module` in file TBModel_DFTB.f95

Subsections

Purpose
Usage
Uses
Module variables
Type TBModel_DFTB
- Elements
Interface Initialise
Interface Finalise
Interface Print
Interface n_orbs_of_Z
Interface n_orb_sets_of_Z
Interface n_orbs_of_orb_set_of_Z
Interface orb_type_of_orb_set_of_Z
Interface n_elecs_of_Z
Interface get_HS_blocks
Interface get_dHS_masks
Interface get_dHS_blocks
Interface get_local_rep_E
Interface get_local_rep_E_force
Interface get_local_rep_E_virial
Subroutine TBM_characters_handler
Subroutine TBM_startElement_handler
Subroutine TBM_endElement_handler
Subroutine TBModel_DFTB_read_params_xml
Subroutine radial_functions
Subroutine dradial_functions

gabor 2009-06-30