qs_mo_methods::make_basis_sv Interface Reference

Public Member Functions
subroutine	make_basis_sv_fm (vmatrix, ncol, svmatrix)
	returns an S-orthonormal basis v and the corresponding matrix S*v as well
subroutine	make_basis_sv_dbcsr (vmatrix, ncol, svmatrix, para_env, blacs_env)
	...

Detailed Description

Definition at line 71 of file qs_mo_methods.F.

Member Function/Subroutine Documentation

make_basis_sv_fm()

subroutine qs_mo_methods::make_basis_sv::make_basis_sv_fm	(	type(cp_fm_type), intent(in)	vmatrix,
		integer, intent(in)	ncol,
		type(cp_fm_type), intent(in)	svmatrix
	)

returns an S-orthonormal basis v and the corresponding matrix S*v as well

Parameters

vmatrix	...
ncol	...
svmatrix	...

History

03.2006 created [Joost VandeVondele]

Definition at line 134 of file qs_mo_methods.F.

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make_basis_sv_dbcsr()

subroutine qs_mo_methods::make_basis_sv::make_basis_sv_dbcsr	(	type(dbcsr_type)	vmatrix,
		integer, intent(in)	ncol,
		type(dbcsr_type)	svmatrix,
		type(mp_para_env_type), pointer	para_env,
		type(cp_blacs_env_type), pointer	blacs_env
	)

...

Parameters

vmatrix	...
ncol	...
svmatrix	...
para_env	...
blacs_env	...

Definition at line 180 of file qs_mo_methods.F.

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The documentation for this interface was generated from the following file:

• qs_mo_methods.F