density matrix optimization using exponential transformations More...

Functions/Subroutines
subroutine, public	dm_ls_curvy_optimization (ls_scf_env, energy, check_conv)
	driver routine for Head-Gordon curvy step approach More...

subroutine, public	deallocate_curvy_data (curvy_data)
	... More...

Detailed Description

density matrix optimization using exponential transformations

Function/Subroutine Documentation

subroutine, public dm_ls_scf_curvy::dm_ls_curvy_optimization	(	type(ls_scf_env_type)	ls_scf_env,
		real(kind=dp)	energy,
		logical	check_conv
	)

driver routine for Head-Gordon curvy step approach

Parameters

Definition at line 56 of file dm_ls_scf_curvy.F.

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subroutine, public dm_ls_scf_curvy::deallocate_curvy_data ( type(ls_scf_curvy_type) curvy_data )

...

Parameters

curvy_data ...

Definition at line 758 of file dm_ls_scf_curvy.F.

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