qs_commutators Module Reference

Calculation of commutator [H,r] matrices. More...

Functions/Subroutines
subroutine, public	build_com_hr_matrix (qs_env, matrix_hr)
	Calculation of the [H,r] commutators matrices over Cartesian Gaussian functions.

Detailed Description

Calculation of commutator [H,r] matrices.

History

JGH: [7.2016]

Author

Juerg Hutter

Function/Subroutine Documentation

build_com_hr_matrix()

subroutine, public qs_commutators::build_com_hr_matrix	(	type(qs_environment_type), pointer	qs_env,
		type(dbcsr_p_type), dimension(:), optional, pointer	matrix_hr
	)

Calculation of the [H,r] commutators matrices over Cartesian Gaussian functions.

Parameters

qs_env	...
matrix_hr	...

Date

26.07.2016

History

Author

JGH

Version

1.0

Definition at line 55 of file qs_commutators.F.

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