qs_basis_gradient.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_basis_gradient
	...

Functions/Subroutines
subroutine, public	qs_basis_gradient::qs_basis_center_gradient (qs_env)
	...
real(kind=dp) function, public	qs_basis_gradient::return_basis_center_gradient_norm (qs_env)
	... returns the norm of the gradient vector, taking only floating components into account
subroutine, public	qs_basis_gradient::qs_update_basis_center_pos (qs_env)
	move atoms with kind float according to gradient