xtb_ehess.F File Reference

#include "./base/base_uses.f90"

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Modules
module	xtb_ehess
	Calculation of Coulomb Hessian contributions in xTB.

Functions/Subroutines
subroutine, public	xtb_ehess::xtb_coulomb_hessian (qs_env, ks_matrix, charges1, mcharge1, mcharge)
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