qs_scf_csr_write Module Reference

Functions to print the KS and S matrix in the CSR format to file. More...

Functions/Subroutines
subroutine, public	write_ks_matrix_csr (qs_env, input)
	writing the KS matrix in csr format into a file
subroutine, public	write_s_matrix_csr (qs_env, input)
	writing the overlap matrix in csr format into a file

Detailed Description

Functions to print the KS and S matrix in the CSR format to file.

History

Started as a copy from the relevant part of qs_scf_post_gpw

Author

Fabian Ducry (05.2020)

Function/Subroutine Documentation

write_ks_matrix_csr()

subroutine, public qs_scf_csr_write::write_ks_matrix_csr	(	type(qs_environment_type), pointer	qs_env,
		type(section_vals_type), pointer	input
	)

writing the KS matrix in csr format into a file

Parameters

qs_env	qs environment
input	the input

History

Moved to module qs_scf_csr_write (05.2020)

Author

Mohammad Hossein Bani-Hashemian

Definition at line 71 of file qs_scf_csr_write.F.

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write_s_matrix_csr()

subroutine, public qs_scf_csr_write::write_s_matrix_csr	(	type(qs_environment_type), pointer	qs_env,
		type(section_vals_type), pointer	input
	)

writing the overlap matrix in csr format into a file

Parameters

qs_env	qs environment
input	the input

History

Moved to module qs_scf_csr_write

Author

Mohammad Hossein Bani-Hashemian

Definition at line 121 of file qs_scf_csr_write.F.

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