input_cp2k_external Module Reference

function that build the input sections for external [potential, density VXC] More...

Functions/Subroutines
subroutine, public	create_ext_pot_section (section)
	Creates the section for applying an electrostatic external potential. More...
subroutine, public	create_ext_den_section (section)
	ZMP Creates the section for reading user supplied external density. More...
subroutine, public	create_ext_vxc_section (section)
	ZMP Creates the section for creating the external v_xc. More...

Detailed Description

function that build the input sections for external [potential, density VXC]

History

10.2005 moved out of input_cp2k [fawzi] 10.2020 moved out of input_cp2k_dft [JGH]

Author

fawzi

Function/Subroutine Documentation

create_ext_pot_section()

subroutine, public input_cp2k_external::create_ext_pot_section

(

type(section_type), pointer

section

)

Creates the section for applying an electrostatic external potential.

Parameters

section

...

Date

12.2009

Author

teo

Definition at line 51 of file input_cp2k_external.F.

Here is the call graph for this function:

Here is the caller graph for this function:

create_ext_den_section()

subroutine, public input_cp2k_external::create_ext_den_section

(

type(section_type), pointer

section

)

ZMP Creates the section for reading user supplied external density.

Parameters

section

...

Date

03.2011

Author

D. Varsano [danie.nosp@m.le.v.nosp@m.arsan.nosp@m.o@na.nosp@m.no.cn.nosp@m.r.it]

Definition at line 182 of file input_cp2k_external.F.

Here is the call graph for this function:

Here is the caller graph for this function:

create_ext_vxc_section()

subroutine, public input_cp2k_external::create_ext_vxc_section

(

type(section_type), pointer

section

)

ZMP Creates the section for creating the external v_xc.

Parameters

section

...

Date

03.2011

Author

D. Varsano [danie.nosp@m.le.v.nosp@m.arsan.nosp@m.o@na.nosp@m.no.cn.nosp@m.r.it]

Definition at line 246 of file input_cp2k_external.F.

Here is the call graph for this function:

Here is the caller graph for this function: