almo_scf_types Module Reference

Types for all ALMO-based methods. More...

Data Types
type	almo_scf_env_type
type	almo_scf_history_type
type	optimizer_options_type

Functions/Subroutines
subroutine, public	print_optimizer_options (optimizer, unit_nr)
	Prints out the options of an optimizer.
subroutine, public	almo_scf_env_release (almo_scf_env)
	release the almo scf envirnoment

Variables
integer, parameter, public	almo_mat_dim_aobasis = 1
integer, parameter, public	almo_mat_dim_occ = 2
integer, parameter, public	almo_mat_dim_virt = 3
integer, parameter, public	almo_mat_dim_virt_full = 4
integer, parameter, public	almo_mat_dim_domains = 5
integer, parameter, public	almo_mat_dim_virt_disc = 6
real(kind=dp), parameter, public	almo_max_cutoff_multiplier = 2.2_dp

Detailed Description

Types for all ALMO-based methods.

History

2011.05 created [Rustam Z Khaliullin] 2018.09 smearing support [Ruben Staub]

Author

Rustam Z Khaliullin

Function/Subroutine Documentation

print_optimizer_options()

subroutine, public almo_scf_types::print_optimizer_options	(	type(optimizer_options_type), intent(in)	optimizer,
		integer, intent(in)	unit_nr
	)

Prints out the options of an optimizer.

Parameters

optimizer	options to print
unit_nr	output stream

History

2014.10 created [Rustam Z Khaliullin]

Author

Rustam Z Khaliullin

Definition at line 436 of file almo_scf_types.F.

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almo_scf_env_release()

subroutine, public almo_scf_types::almo_scf_env_release

(

type(almo_scf_env_type), pointer

almo_scf_env

)

release the almo scf envirnoment

Parameters

almo_scf_env

...

History

2016.11 created [Rustam Z Khaliullin]

Author

Rustam Z Khaliullin

Definition at line 549 of file almo_scf_types.F.

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Variable Documentation

almo_mat_dim_aobasis

integer, parameter, public almo_scf_types::almo_mat_dim_aobasis = 1

Definition at line 36 of file almo_scf_types.F.

almo_mat_dim_occ

integer, parameter, public almo_scf_types::almo_mat_dim_occ = 2

Definition at line 36 of file almo_scf_types.F.

almo_mat_dim_virt

integer, parameter, public almo_scf_types::almo_mat_dim_virt = 3

Definition at line 36 of file almo_scf_types.F.

almo_mat_dim_virt_full

integer, parameter, public almo_scf_types::almo_mat_dim_virt_full = 4

Definition at line 36 of file almo_scf_types.F.

almo_mat_dim_domains

integer, parameter, public almo_scf_types::almo_mat_dim_domains = 5

Definition at line 36 of file almo_scf_types.F.

almo_mat_dim_virt_disc

integer, parameter, public almo_scf_types::almo_mat_dim_virt_disc = 6

Definition at line 36 of file almo_scf_types.F.

almo_max_cutoff_multiplier

real(kind=dp), parameter, public almo_scf_types::almo_max_cutoff_multiplier = 2.2_dp

Definition at line 42 of file almo_scf_types.F.