pw_poisson_methods::pw_poisson_solve Interface Reference

Public Member Functions
subroutine	pw_poisson_solve_nov_nodv_r3d_rs (poisson_env, density, ehartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_v_nodv_r3d_rs_r3d_rs (poisson_env, density, ehartree, vhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_v_nodv_r3d_rs_c1d_gs (poisson_env, density, ehartree, vhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_nov_dv_r3d_rs_r3d_rs (poisson_env, density, ehartree, dvhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_v_dv_r3d_rs_r3d_rs_r3d_rs (poisson_env, density, ehartree, vhartree, dvhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_v_dv_r3d_rs_c1d_gs_r3d_rs (poisson_env, density, ehartree, vhartree, dvhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_nov_dv_r3d_rs_c1d_gs (poisson_env, density, ehartree, dvhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_v_dv_r3d_rs_r3d_rs_c1d_gs (poisson_env, density, ehartree, vhartree, dvhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_v_dv_r3d_rs_c1d_gs_c1d_gs (poisson_env, density, ehartree, vhartree, dvhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_nov_nodv_c1d_gs (poisson_env, density, ehartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_v_nodv_c1d_gs_r3d_rs (poisson_env, density, ehartree, vhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_v_nodv_c1d_gs_c1d_gs (poisson_env, density, ehartree, vhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_nov_dv_c1d_gs_r3d_rs (poisson_env, density, ehartree, dvhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_v_dv_c1d_gs_r3d_rs_r3d_rs (poisson_env, density, ehartree, vhartree, dvhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_v_dv_c1d_gs_c1d_gs_r3d_rs (poisson_env, density, ehartree, vhartree, dvhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_nov_dv_c1d_gs_c1d_gs (poisson_env, density, ehartree, dvhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_v_dv_c1d_gs_r3d_rs_c1d_gs (poisson_env, density, ehartree, vhartree, dvhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.
subroutine	pw_poisson_solve_v_dv_c1d_gs_c1d_gs_c1d_gs (poisson_env, density, ehartree, vhartree, dvhartree, h_stress, rho_core, greenfn, aux_density)
	Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Detailed Description

Definition at line 78 of file pw_poisson_methods.F.

Member Function/Subroutine Documentation

pw_poisson_solve_nov_nodv_r3d_rs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_nov_nodv_r3d_rs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_r3d_rs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_r3d_rs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 367 of file pw_poisson_methods.F.

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pw_poisson_solve_v_nodv_r3d_rs_r3d_rs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_v_nodv_r3d_rs_r3d_rs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_r3d_rs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_r3d_rs_type), intent(inout)	vhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_r3d_rs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
vhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 747 of file pw_poisson_methods.F.

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pw_poisson_solve_v_nodv_r3d_rs_c1d_gs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_v_nodv_r3d_rs_c1d_gs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_r3d_rs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_c1d_gs_type), intent(inout)	vhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_r3d_rs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
vhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 937 of file pw_poisson_methods.F.

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pw_poisson_solve_nov_dv_r3d_rs_r3d_rs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_nov_dv_r3d_rs_r3d_rs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_r3d_rs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_r3d_rs_type), dimension(3)	dvhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_r3d_rs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
dvhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 1512 of file pw_poisson_methods.F.

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pw_poisson_solve_v_dv_r3d_rs_r3d_rs_r3d_rs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_v_dv_r3d_rs_r3d_rs_r3d_rs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_r3d_rs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_r3d_rs_type), intent(inout)	vhartree,
		type(pw_r3d_rs_type), dimension(3)	dvhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_r3d_rs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
vhartree	...
dvhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 2222 of file pw_poisson_methods.F.

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pw_poisson_solve_v_dv_r3d_rs_c1d_gs_r3d_rs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_v_dv_r3d_rs_c1d_gs_r3d_rs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_r3d_rs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_c1d_gs_type), intent(inout)	vhartree,
		type(pw_r3d_rs_type), dimension(3)	dvhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_r3d_rs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
vhartree	...
dvhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 2414 of file pw_poisson_methods.F.

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pw_poisson_solve_nov_dv_r3d_rs_c1d_gs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_nov_dv_r3d_rs_c1d_gs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_r3d_rs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_c1d_gs_type), dimension(3)	dvhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_r3d_rs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
dvhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 1689 of file pw_poisson_methods.F.

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pw_poisson_solve_v_dv_r3d_rs_r3d_rs_c1d_gs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_v_dv_r3d_rs_r3d_rs_c1d_gs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_r3d_rs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_r3d_rs_type), intent(inout)	vhartree,
		type(pw_c1d_gs_type), dimension(3)	dvhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_r3d_rs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
vhartree	...
dvhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 2608 of file pw_poisson_methods.F.

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pw_poisson_solve_v_dv_r3d_rs_c1d_gs_c1d_gs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_v_dv_r3d_rs_c1d_gs_c1d_gs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_r3d_rs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_c1d_gs_type), intent(inout)	vhartree,
		type(pw_c1d_gs_type), dimension(3)	dvhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_r3d_rs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
vhartree	...
dvhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 2800 of file pw_poisson_methods.F.

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pw_poisson_solve_nov_nodv_c1d_gs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_nov_nodv_c1d_gs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_c1d_gs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_c1d_gs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 553 of file pw_poisson_methods.F.

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pw_poisson_solve_v_nodv_c1d_gs_r3d_rs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_v_nodv_c1d_gs_r3d_rs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_c1d_gs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_r3d_rs_type), intent(inout)	vhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_c1d_gs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
vhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 1129 of file pw_poisson_methods.F.

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pw_poisson_solve_v_nodv_c1d_gs_c1d_gs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_v_nodv_c1d_gs_c1d_gs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_c1d_gs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_c1d_gs_type), intent(inout)	vhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_c1d_gs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
vhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 1321 of file pw_poisson_methods.F.

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pw_poisson_solve_nov_dv_c1d_gs_r3d_rs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_nov_dv_c1d_gs_r3d_rs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_c1d_gs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_r3d_rs_type), dimension(3)	dvhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_c1d_gs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
dvhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 1866 of file pw_poisson_methods.F.

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pw_poisson_solve_v_dv_c1d_gs_r3d_rs_r3d_rs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_v_dv_c1d_gs_r3d_rs_r3d_rs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_c1d_gs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_r3d_rs_type), intent(inout)	vhartree,
		type(pw_r3d_rs_type), dimension(3)	dvhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_c1d_gs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
vhartree	...
dvhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 2994 of file pw_poisson_methods.F.

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pw_poisson_solve_v_dv_c1d_gs_c1d_gs_r3d_rs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_v_dv_c1d_gs_c1d_gs_r3d_rs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_c1d_gs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_c1d_gs_type), intent(inout)	vhartree,
		type(pw_r3d_rs_type), dimension(3)	dvhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_c1d_gs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
vhartree	...
dvhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 3186 of file pw_poisson_methods.F.

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pw_poisson_solve_nov_dv_c1d_gs_c1d_gs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_nov_dv_c1d_gs_c1d_gs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_c1d_gs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_c1d_gs_type), dimension(3)	dvhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_c1d_gs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
dvhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 2043 of file pw_poisson_methods.F.

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pw_poisson_solve_v_dv_c1d_gs_r3d_rs_c1d_gs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_v_dv_c1d_gs_r3d_rs_c1d_gs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_c1d_gs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_r3d_rs_type), intent(inout)	vhartree,
		type(pw_c1d_gs_type), dimension(3)	dvhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_c1d_gs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
vhartree	...
dvhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 3378 of file pw_poisson_methods.F.

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pw_poisson_solve_v_dv_c1d_gs_c1d_gs_c1d_gs()

subroutine pw_poisson_methods::pw_poisson_solve::pw_poisson_solve_v_dv_c1d_gs_c1d_gs_c1d_gs	(	type(pw_poisson_type), intent(inout)	poisson_env,
		type(pw_c1d_gs_type), intent(in)	density,
		real(kind=dp), intent(out), optional	ehartree,
		type(pw_c1d_gs_type), intent(inout)	vhartree,
		type(pw_c1d_gs_type), dimension(3)	dvhartree,
		real(kind=dp), dimension(3, 3), intent(out), optional	h_stress,
		type(pw_c1d_gs_type), intent(in), optional	rho_core,
		type(pw_c1d_gs_type), intent(in), optional	greenfn,
		type(pw_c1d_gs_type), intent(in), optional	aux_density )

Solve Poisson equation in a plane wave basis set Obtains electrostatic potential and its derivatives with respect to r from the density.

Parameters

poisson_env	...
density	...
ehartree	...
vhartree	...
dvhartree	...
h_stress	...
rho_core	...
greenfn	...
aux_density	Hartree energy and stress tensor between 2 different densities

History

JGH (13-Mar-2001) : completely revised

Author

apsi

Definition at line 3570 of file pw_poisson_methods.F.

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

• pw/pw_poisson_methods.F