xtb_hab_force.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

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

Functions/Subroutines
subroutine, public	xtb_hab_force::build_xtb_hab_force (qs_env, p_matrix)
	...