xtb_spinpol.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	xtb_spinpol
	Calculation of Spin Polarisation contributions in xTB.

Functions/Subroutines
subroutine, public	xtb_spinpol::build_xtb_spinpol (qs_env, ks_matrix, matrix_p, energy, sap_int, calculate_forces, just_energy)
	...
subroutine, public	xtb_spinpol::xtb_spinpol_hessian (qs_env, ks_matrix, matrix_p1)
	...
subroutine, public	xtb_spinpol::xtb_spinpol_hforce (qs_env, matrix_p0, matrix_p1)
	...