Octopus
mix.F90 File Reference

Go to the source code of this file.

Modules

module  mix_oct_m
 

Data Types

type  mix_oct_m::mixfield_t
 Quantities used in mixing: Input, output and new potentials, and the residuals. More...
 
type  mix_oct_m::mixfield_ptr_t
 
type  mix_oct_m::mix_t
 God class for mixing. More...
 
interface  mix_oct_m::mixfield_set_vin
 
interface  mix_oct_m::mixfield_set_vout
 
interface  mix_oct_m::mixfield_get_vnew
 

Functions/Subroutines

subroutine, public mix_oct_m::mix_init (smix, namespace, space, der, d1, d2, def_, func_type_, prefix_)
 Initialise mix_t instance. More...
 
subroutine init_preconditioner ()
 
subroutine, public mix_oct_m::mix_clear (smix)
 
subroutine, public mix_oct_m::mix_end (smix)
 
subroutine, public mix_oct_m::mix_dump (namespace, restart, smix, space, mesh, ierr)
 
subroutine, public mix_oct_m::mix_load (namespace, restart, smix, space, mesh, ierr)
 
real(real64) pure function, public mix_oct_m::mix_coefficient (this)
 
integer pure function, public mix_oct_m::mix_scheme (this)
 
integer pure function, public mix_oct_m::mix_d3 (this)
 
subroutine, public mix_oct_m::mix_get_field (this, mixfield)
 
subroutine, public mix_oct_m::mixing (namespace, smix)
 Main entry-point to SCF mixer. More...
 
subroutine, public mix_oct_m::mix_add_auxmixfield (namespace, smix, mixfield)
 
subroutine, public mix_oct_m::mixfield_init (smix, mixfield, d1, d2, d3, func_type)
 Initialise all attributes of a mixfield instance. More...
 
subroutine, public mix_oct_m::mixfield_end (smix, mixfield)
 Deallocate all arrays of a mixfield instance. More...
 
subroutine, public mix_oct_m::mixfield_clear (scheme, mixfield)
 Zero all potential and field attributes of a mixfield instance. More...
 
subroutine mix_oct_m::ddmixfield_set_vin (mixfield, vin_re, vin_im)
 
subroutine mix_oct_m::ddmixfield_set_vout (mixfield, vout_re, vout_im)
 
subroutine mix_oct_m::ddmixfield_get_vnew (mixfield, re, im)
 
subroutine mix_oct_m::compute_residuals_aux_field (this)
 Compute the residuals of the auxilliary fields. More...
 
subroutine mix_oct_m::linear_mixing_aux_field (smix)
 Linear mixing of the auxilliary fields. More...
 
subroutine, public mix_oct_m::dmixing (namespace, smix, vin, vout, vnew)
 Mix the input and output potentials (or densities) according to some scheme. More...
 
subroutine mix_oct_m::dmixing_linear (d1, d2, coeff, vin, residual, vnew)
 Linear mixing of the input and output potentials. More...
 
subroutine mix_oct_m::dcompute_residual (smix, dims, vin, vout, residual)
 Compute the residual of the potential (or density) for SCF mixing. More...
 
subroutine mix_oct_m::dmixing_broyden (namespace, smix, f, vin, vnew, iter)
 Top-level routine for Broyden mixing. More...
 
subroutine mix_oct_m::dbroyden_extrapolation (this, namespace, coeff, d1, d2, vin, vnew, iter_used, f, df, dv)
 Broyden mixing implementation. More...
 
subroutine mix_oct_m::dbroyden_extrapolation_aux (this, namespace, ii, coeff, iter_used, dbeta, dwork, zbeta, zwork)
 Broyden mixing for auxilliary fields. More...
 
subroutine mix_oct_m::dmixing_diis (this, vin, residual, vnew, iter)
 Direct inversion in the iterative subspace. More...
 
subroutine mix_oct_m::dmixing_build_matrix (this, df, size, d2, ww, beta)
 
real(real64) function mix_oct_m::dmix_dotp (this, xx, yy, reduce)
 
subroutine mix_oct_m::dmixfield_set_vin (mixfield, vin)
 
subroutine mix_oct_m::dmixfield_set_vout (mixfield, vout)
 
subroutine mix_oct_m::dmixfield_get_vnew (mixfield, vnew)
 
subroutine, public mix_oct_m::zmixing (namespace, smix, vin, vout, vnew)
 Mix the input and output potentials (or densities) according to some scheme. More...
 
subroutine mix_oct_m::zmixing_linear (d1, d2, coeff, vin, residual, vnew)
 Linear mixing of the input and output potentials. More...
 
subroutine mix_oct_m::zcompute_residual (smix, dims, vin, vout, residual)
 Compute the residual of the potential (or density) for SCF mixing. More...
 
subroutine mix_oct_m::zmixing_broyden (namespace, smix, f, vin, vnew, iter)
 Top-level routine for Broyden mixing. More...
 
subroutine mix_oct_m::zbroyden_extrapolation (this, namespace, coeff, d1, d2, vin, vnew, iter_used, f, df, dv)
 Broyden mixing implementation. More...
 
subroutine mix_oct_m::zbroyden_extrapolation_aux (this, namespace, ii, coeff, iter_used, dbeta, dwork, zbeta, zwork)
 Broyden mixing for auxilliary fields. More...
 
subroutine mix_oct_m::zmixing_diis (this, vin, residual, vnew, iter)
 Direct inversion in the iterative subspace. More...
 
subroutine mix_oct_m::zmixing_build_matrix (this, df, size, d2, ww, beta)
 
complex(real64) function mix_oct_m::zmix_dotp (this, xx, yy, reduce)
 
subroutine mix_oct_m::zmixfield_set_vin (mixfield, vin)
 
subroutine mix_oct_m::zmixfield_set_vout (mixfield, vout)
 
subroutine mix_oct_m::zmixfield_get_vnew (mixfield, vnew)
 

Variables

integer, parameter mix_oct_m::max_auxmixfield = 5
 

Function/Subroutine Documentation

◆ init_preconditioner()

subroutine mix_init::init_preconditioner
private

Definition at line 452 of file mix.F90.