qs_density_matrices::calculate_density_matrix Interface Reference

Public Member Functions
subroutine	calculate_dm_sparse (mo_set, density_matrix, use_dbcsr, retain_sparsity)
	Calculate the density matrix.

Detailed Description

Definition at line 58 of file qs_density_matrices.F.

Member Function/Subroutine Documentation

calculate_dm_sparse()

subroutine qs_density_matrices::calculate_density_matrix::calculate_dm_sparse	(	type(mo_set_type), intent(in)	mo_set,
		type(dbcsr_type), pointer	density_matrix,
		logical, intent(in), optional	use_dbcsr,
		logical, intent(in), optional	retain_sparsity
	)

Calculate the density matrix.

Parameters

mo_set	...
density_matrix	...
use_dbcsr	...
retain_sparsity	...

Date

06.2002

History

• Fractional occupied orbitals (MK)

Author

Joost VandeVondele

Version

1.0

Definition at line 80 of file qs_density_matrices.F.

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

• qs_density_matrices.F