xtb_matrices.F File Reference

#include "./base/base_uses.f90"

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Modules
module	xtb_matrices
	Calculation of Overlap and Hamiltonian matrices in xTB Reference: Stefan Grimme, Christoph Bannwarth, Philip Shushkov JCTC 13, 1989-2009, (2017) DOI: 10.1021/acs.jctc.7b00118.

Functions/Subroutines
subroutine, public	xtb_matrices::build_xtb_matrices (qs_env, calculate_forces)
	...