qs_dftb3_methods.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_dftb3_methods
	Calculation of DFTB3 Terms.

Functions/Subroutines
subroutine, public	qs_dftb3_methods::build_dftb3_diagonal (qs_env, ks_matrix, rho, mcharge, energy, xgamma, zeff, sap_int, calculate_forces, just_energy)
	...