cp_dbcsr_output Module Reference

DBCSR output in CP2K. More...

Functions/Subroutines
subroutine, public	write_fm_with_basis_info (blacs_matrix, before, after, qs_env, para_env, first_row, last_row, first_col, last_col, output_unit, omit_headers)
	Print a spherical matrix of blacs type. More...
subroutine, public	cp_dbcsr_write_sparse_matrix (sparse_matrix, before, after, qs_env, para_env, first_row, last_row, first_col, last_col, scale, output_unit, omit_headers)
	... More...
subroutine, public	cp_dbcsr_write_matrix_dist (matrix, output_unit, para_env)
	Print the distribution of a sparse matrix. More...

Detailed Description

DBCSR output in CP2K.

Author

VW

Date

2009-09-09

Version

0.1

Modification history:

• Created 2009-09-09

Function/Subroutine Documentation

write_fm_with_basis_info()

subroutine, public cp_dbcsr_output::write_fm_with_basis_info	(	type(cp_fm_type), intent(in)	blacs_matrix,
		integer, intent(in)	before,
		integer, intent(in)	after,
		type(qs_environment_type), pointer	qs_env,
		type(mp_para_env_type), pointer	para_env,
		integer, intent(in), optional	first_row,
		integer, intent(in), optional	last_row,
		integer, intent(in), optional	first_col,
		integer, intent(in), optional	last_col,
		integer, intent(in)	output_unit,
		logical, intent(in), optional	omit_headers
	)

Print a spherical matrix of blacs type.

Parameters

blacs_matrix	...
before	...
after	...
qs_env	...
para_env	...
first_row	...
last_row	...
first_col	...
last_col	...
output_unit	...
omit_headers	Write only the matrix data, not the row/column headers

Author

Creation (12.06.2001,MK) Allow for printing of a sub-matrix (01.07.2003,MK)

Definition at line 76 of file cp_dbcsr_output.F.

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cp_dbcsr_write_sparse_matrix()

subroutine, public cp_dbcsr_output::cp_dbcsr_write_sparse_matrix	(	type(dbcsr_type)	sparse_matrix,
		integer, intent(in)	before,
		integer, intent(in)	after,
		type(qs_environment_type), pointer	qs_env,
		type(mp_para_env_type), pointer	para_env,
		integer, intent(in), optional	first_row,
		integer, intent(in), optional	last_row,
		integer, intent(in), optional	first_col,
		integer, intent(in), optional	last_col,
		real(dp), intent(in), optional	scale,
		integer, intent(in)	output_unit,
		logical, intent(in), optional	omit_headers
	)

...

Parameters

sparse_matrix	...
before	...
after	...
qs_env	...
para_env	...
first_row	...
last_row	...
first_col	...
last_col	...
scale	...
output_unit	...
omit_headers	Write only the matrix data, not the row/column headers

Definition at line 160 of file cp_dbcsr_output.F.

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cp_dbcsr_write_matrix_dist()

subroutine, public cp_dbcsr_output::cp_dbcsr_write_matrix_dist	(	type(dbcsr_type)	matrix,
		integer, intent(in)	output_unit,
		type(mp_para_env_type), pointer	para_env
	)

Print the distribution of a sparse matrix.

Parameters

matrix	...
output_unit	...
para_env	...

History

Creation (25.06.2003,MK)

Definition at line 586 of file cp_dbcsr_output.F.

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