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Public Member Functions
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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 363 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 741 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 929 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 1498 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 2208 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 2398 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 1675 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 2590 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 2780 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 548 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 1119 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 1309 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 1852 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 2972 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 3162 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 2029 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 3352 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_densityHartree energy and stress tensor between 2 different densities
History
JGH (13-Mar-2001) : completely revised
Author
apsi

Definition at line 3542 of file pw_poisson_methods.F.

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