admm_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	admm_types::admm_gapw_r3d_rs_type
	A subtype of the admm_env that contains the extra data needed for an ADMM GAPW calculation. More...
type	admm_types::admm_type
	stores some data used in wavefunction fitting More...

Modules
module	admm_types
	Types and set/get functions for auxiliary density matrix methods.

Functions/Subroutines
subroutine, public	admm_types::admm_env_create (admm_env, admm_control, mos, para_env, natoms, nao_aux_fit, blacs_env_ext)
	creates ADMM environment, initializes the basic types
subroutine, public	admm_types::admm_env_release (admm_env)
	releases the ADMM environment, cleans up all types
subroutine, public	admm_types::get_admm_env (admm_env, mo_derivs_aux_fit, mos_aux_fit, sab_aux_fit, sab_aux_fit_asymm, sab_aux_fit_vs_orb, matrix_s_aux_fit, matrix_s_aux_fit_kp, matrix_s_aux_fit_vs_orb, matrix_s_aux_fit_vs_orb_kp, task_list_aux_fit, matrix_ks_aux_fit, matrix_ks_aux_fit_kp, matrix_ks_aux_fit_im, matrix_ks_aux_fit_dft, matrix_ks_aux_fit_hfx, matrix_ks_aux_fit_dft_kp, matrix_ks_aux_fit_hfx_kp, rho_aux_fit, rho_aux_fit_buffer, admm_dm)
	Get routine for the ADMM env.
subroutine, public	admm_types::set_admm_env (admm_env, mo_derivs_aux_fit, mos_aux_fit, sab_aux_fit, sab_aux_fit_asymm, sab_aux_fit_vs_orb, matrix_s_aux_fit, matrix_s_aux_fit_kp, matrix_s_aux_fit_vs_orb, matrix_s_aux_fit_vs_orb_kp, task_list_aux_fit, matrix_ks_aux_fit, matrix_ks_aux_fit_kp, matrix_ks_aux_fit_im, matrix_ks_aux_fit_dft, matrix_ks_aux_fit_hfx, matrix_ks_aux_fit_dft_kp, matrix_ks_aux_fit_hfx_kp, rho_aux_fit, rho_aux_fit_buffer, admm_dm)
	Set routine for the ADMM env.