qs_collocate_density::calculate_rho_core Interface Reference

Public Member Functions
subroutine	calculate_rho_core_r3d_rs (rho_core, total_rho, qs_env, calpha, ccore, only_nopaw)
	computes the density of the core charges on the grid
subroutine	calculate_rho_core_c1d_gs (rho_core, total_rho, qs_env, calpha, ccore, only_nopaw)
	computes the density of the core charges on the grid

Detailed Description

Definition at line 137 of file qs_collocate_density.F.

Member Function/Subroutine Documentation

calculate_rho_core_r3d_rs()

subroutine qs_collocate_density::calculate_rho_core::calculate_rho_core_r3d_rs	(	type(pw_r3d_rs_type), intent(inout)	rho_core,
		real(kind=dp), intent(out)	total_rho,
		type(qs_environment_type), pointer	qs_env,
		real(kind=dp), dimension(:), optional	calpha,
		real(kind=dp), dimension(:), optional	ccore,
		logical, intent(in), optional	only_nopaw
	)

computes the density of the core charges on the grid

Parameters

rho_core	...
total_rho	...
qs_env	...
calpha	...
ccore	...
only_nopaw	...

Definition at line 794 of file qs_collocate_density.F.

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calculate_rho_core_c1d_gs()

subroutine qs_collocate_density::calculate_rho_core::calculate_rho_core_c1d_gs	(	type(pw_c1d_gs_type), intent(inout)	rho_core,
		real(kind=dp), intent(out)	total_rho,
		type(qs_environment_type), pointer	qs_env,
		real(kind=dp), dimension(:), optional	calpha,
		real(kind=dp), dimension(:), optional	ccore,
		logical, intent(in), optional	only_nopaw
	)

computes the density of the core charges on the grid

Parameters

rho_core	...
total_rho	...
qs_env	...
calpha	...
ccore	...
only_nopaw	...

Definition at line 931 of file qs_collocate_density.F.

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The documentation for this interface was generated from the following file:

• qs_collocate_density.F