preconditioner_makes.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	preconditioner_makes
	computes preconditioners, and implements methods to apply them currently used in qs_ot

Functions/Subroutines
subroutine, public	preconditioner_makes::make_complex_full_all (preconditioner_env, matrix_c0, matrix_h, matrix_s, c0_evals, energy_gap)
	Build the state-selective FULL_ALL operator for a complex k-point channel. The occupied/reference subspace is retained in its current gauge, while the orthogonal complement carries the spectrum of H(k).
subroutine, public	preconditioner_makes::make_complex_full_single (preconditioner_env, matrix_h, matrix_s, energy_homo, energy_gap)
	Build the complex spectral FULL_SINGLE preconditioner.
subroutine, public	preconditioner_makes::make_complex_fermi_low_rank (preconditioner_env, matrix_c0, matrix_h, matrix_s, energy_gap, max_rank, spectral_window, degeneracy_tolerance)
	Build the bounded low-rank spectral inverse for a complex k-point channel.
subroutine, public	preconditioner_makes::make_complex_full_all_covariant (preconditioner_env, matrix_c0, matrix_h, matrix_s, energy_gap, occupation_signature)
	Build the gauge-covariant FULL_ALL inverse for a complex k-point channel.
subroutine, public	preconditioner_makes::make_preconditioner_matrix (preconditioner_env, matrix_h, matrix_s, matrix_t, mo_coeff, energy_homo, eigenvalues_ot, energy_gap, my_solver_type)
	...
subroutine, public	preconditioner_makes::make_complex_full_single_inverse (preconditioner_env, matrix_c0, matrix_h, matrix_s, energy_gap)
	Build a gauge-covariant FULL_SINGLE_INVERSE operator for a complex k-point channel.
subroutine, public	preconditioner_makes::make_complex_full_s_inverse (preconditioner_env, matrix_s)
	Build the inverse complex overlap preconditioner.
subroutine, public	preconditioner_makes::make_complex_full_kinetic (preconditioner_env, matrix_t, matrix_s, energy_gap)
	Build the inverse complex kinetic-plus-overlap preconditioner.