xc_kernel.F90 File Reference

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Modules
module	xc_kernel_oct_m

Functions/Subroutines
subroutine, public	xc_kernel_oct_m::xc_get_fxc (xcs, gr, namespace, rho, ispin, fxc, fxc_grad, fxc_grad_spin)
	Returns the exchange-correlation kernel. More...
subroutine	lda_init ()
subroutine	lda_end ()
subroutine	lda_process ()
subroutine	gga_init ()
	initialize GGAs More...
subroutine	gga_end ()
	cleans up memory allocated in gga_init More...
subroutine	gga_process ()
	Add the GGA terms to d2edd2. More...
subroutine, public	xc_kernel_oct_m::xc_get_kxc (xcs, mesh, namespace, rho, ispin, kxc)

Function/Subroutine Documentation

lda_init()

subroutine lda_init

private

Definition at line 334 of file xc_kernel.F90.

lda_end()

subroutine lda_end

private

Definition at line 371 of file xc_kernel.F90.

lda_process()

subroutine lda_process

private

Definition at line 385 of file xc_kernel.F90.

gga_init()

subroutine xc_get_fxc::gga_init

private

initialize GGAs

Definition at line 406 of file xc_kernel.F90.

gga_end()

subroutine xc_get_fxc::gga_end

private

cleans up memory allocated in gga_init

Definition at line 439 of file xc_kernel.F90.

gga_process()

subroutine xc_get_fxc::gga_process

private

Add the GGA terms to d2edd2.

Definition at line 453 of file xc_kernel.F90.