dm_ls_scf_types Module Reference

Types needed for a linear scaling quickstep SCF run based on the density matrix. More...

Data Types
type	ls_mstruct_type
type	ls_scf_curvy_type
type	ls_scf_env_type

Functions/Subroutines
subroutine, public	ls_scf_release (ls_scf_env)
	release the LS type.

Detailed Description

Types needed for a linear scaling quickstep SCF run based on the density matrix.

History

2010.10 created [Joost VandeVondele]

Author

Joost VandeVondele

Function/Subroutine Documentation

ls_scf_release()

subroutine, public dm_ls_scf_types::ls_scf_release

(

type(ls_scf_env_type), pointer

ls_scf_env

)

release the LS type.

Parameters

ls_scf_env

...

History

2012.11 created [Joost VandeVondele]

Author

Joost VandeVondele

Definition at line 183 of file dm_ls_scf_types.F.

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