se_fock_matrix_exchange Module Reference

Construction of the Exchange part of the Fock Matrix. More...

Functions/Subroutines
subroutine, public	build_fock_matrix_exchange (qs_env, ks_matrix, matrix_p, calculate_forces, store_int_env)
	Construction of the Exchange part of the Fock matrix. More...

Detailed Description

Construction of the Exchange part of the Fock Matrix.

Author

Teodoro Laino tlaino - Split and module reorganization

History

Teodoro Laino (04.2008) [tlaino] - University of Zurich : d-orbitals Teodoro Laino (09.2008) [tlaino] - University of Zurich : Speed-up Teodoro Laino (09.2008) [tlaino] - University of Zurich : Periodic SE

Function/Subroutine Documentation

build_fock_matrix_exchange()

subroutine, public se_fock_matrix_exchange::build_fock_matrix_exchange	(	type(qs_environment_type), pointer	qs_env,
		type(dbcsr_p_type), dimension(:), pointer	ks_matrix,
		type(dbcsr_p_type), dimension(:), pointer	matrix_p,
		logical, intent(in)	calculate_forces,
		type(semi_empirical_si_type), pointer	store_int_env
	)

Construction of the Exchange part of the Fock matrix.

Parameters

qs_env	...
ks_matrix	...
matrix_p	...
calculate_forces	...
store_int_env	...

Author

JGH

Definition at line 77 of file se_fock_matrix_exchange.F.

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