qs_rho_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	qs_rho_types::qs_rho_type
	keeps the density in various representations, keeping track of which ones are valid. More...
type	qs_rho_types::qs_rho_p_type

Modules
module	qs_rho_types
	superstucture that hold various representations of the density and keeps track of which ones are valid

Functions/Subroutines
subroutine, public	qs_rho_types::qs_rho_create (rho)
	Allocates a new instance of rho.
subroutine, public	qs_rho_types::qs_rho_release (rho_struct)
	releases a rho_struct by decreasing the reference count by one and deallocating if it reaches 0 (to be called when you don't want anymore a shared copy)
subroutine, public	qs_rho_types::qs_rho_clear (rho_struct)
	Deallocates all components, without deallocating rho_struct itself.
subroutine, public	qs_rho_types::qs_rho_unset_rho_ao (rho_struct)
	Unsets the rho_ao / rho_ao_kp field without calling kpoint_transitional_release().
subroutine, public	qs_rho_types::qs_rho_get (rho_struct, rho_ao, rho_ao_im, rho_ao_kp, rho_ao_im_kp, rho_r, drho_r, rho_g, drho_g, tau_r, tau_g, rho_r_valid, drho_r_valid, rho_g_valid, drho_g_valid, tau_r_valid, tau_g_valid, tot_rho_r, tot_rho_g, rho_r_sccs, soft_valid, complex_rho_ao)
	returns info about the density described by this object. If some representation is not available an error is issued
subroutine, public	qs_rho_types::qs_rho_set (rho_struct, rho_ao, rho_ao_im, rho_ao_kp, rho_ao_im_kp, rho_r, drho_r, rho_g, drho_g, tau_r, tau_g, rho_r_valid, drho_r_valid, rho_g_valid, drho_g_valid, tau_r_valid, tau_g_valid, tot_rho_r, tot_rho_g, rho_r_sccs, soft_valid, complex_rho_ao)
	...
subroutine, public	qs_rho_types::qs_rho_clear_pwpool (rho_struct, auxbas_pw_pool)
	...