cp_dbcsr_cholesky Module Reference

Interface to (sca)lapack for the Cholesky based procedures. More...

Functions/Subroutines
subroutine, public	cp_dbcsr_cholesky_decompose (matrix, n, para_env, blacs_env)
	used to replace a symmetric positive def. matrix M with its cholesky decomposition U: M = U^T * U, with U upper triangular More...
subroutine, public	cp_dbcsr_cholesky_invert (matrix, n, para_env, blacs_env, upper_to_full)
	used to replace the cholesky decomposition by the inverse More...
subroutine, public	cp_dbcsr_cholesky_restore (matrix, neig, matrixb, matrixout, op, pos, transa, para_env, blacs_env)
	... More...

Detailed Description

Interface to (sca)lapack for the Cholesky based procedures.

Author

VW

Date

2009-09-08

Version

0.8

Modification history:

• Created 2009-09-08

Function/Subroutine Documentation

cp_dbcsr_cholesky_decompose()

subroutine, public cp_dbcsr_cholesky::cp_dbcsr_cholesky_decompose	(	type(dbcsr_type)	matrix,
		integer, intent(in), optional	n,
		type(mp_para_env_type), pointer	para_env,
		type(cp_blacs_env_type), pointer	blacs_env
	)

used to replace a symmetric positive def. matrix M with its cholesky decomposition U: M = U^T * U, with U upper triangular

Parameters

matrix	the matrix to replace with its cholesky decomposition
n	the number of row (and columns) of the matrix & (defaults to the min(size(matrix)))
para_env	...
blacs_env	...

History

05.2002 created [JVdV] 12.2002 updated, added n optional parm [fawzi]

Author

Joost

Definition at line 60 of file cp_dbcsr_cholesky.F.

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cp_dbcsr_cholesky_invert()

subroutine, public cp_dbcsr_cholesky::cp_dbcsr_cholesky_invert	(	type(dbcsr_type)	matrix,
		integer, intent(in), optional	n,
		type(mp_para_env_type), pointer	para_env,
		type(cp_blacs_env_type), pointer	blacs_env,
		logical, intent(in)	upper_to_full
	)

used to replace the cholesky decomposition by the inverse

Parameters

matrix	the matrix to invert (must be an upper triangular matrix)
n	size of the matrix to invert (defaults to the min(size(matrix)))
para_env	...
blacs_env	...
upper_to_full	...

History

05.2002 created [JVdV]

Author

Joost VandeVondele

Definition at line 113 of file cp_dbcsr_cholesky.F.

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cp_dbcsr_cholesky_restore()

subroutine, public cp_dbcsr_cholesky::cp_dbcsr_cholesky_restore	(	type(dbcsr_type)	matrix,
		integer, intent(in)	neig,
		type(dbcsr_type)	matrixb,
		type(dbcsr_type)	matrixout,
		character(len=*), intent(in)	op,
		character(len=*), intent(in), optional	pos,
		character(len=*), intent(in), optional	transa,
		type(mp_para_env_type), pointer	para_env,
		type(cp_blacs_env_type), pointer	blacs_env
	)

...

Parameters

matrix	...
neig	...
matrixb	...
matrixout	...
op	...
pos	...
transa	...
para_env	...
blacs_env	...

Definition at line 174 of file cp_dbcsr_cholesky.F.

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