ai_contraction::force_trace Interface Reference

Public Member Functions
subroutine	force_trace_ab (force, sab, pab, na, nb, m, trans)
	Routine to trace a series of matrices with another matrix Calculate forces of type f(:) = Trace(Pab*Sab(:))

Detailed Description

Definition at line 39 of file ai_contraction.F.

Member Function/Subroutine Documentation

force_trace_ab()

subroutine ai_contraction::force_trace::force_trace_ab	(	real(kind=dp), dimension(:), intent(inout)	force,
		real(kind=dp), dimension(:, :, :), intent(in)	sab,
		real(kind=dp), dimension(:, :), intent(in)	pab,
		integer, intent(in)	na,
		integer, intent(in)	nb,
		integer, intent(in)	m,
		logical, intent(in), optional	trans
	)

Routine to trace a series of matrices with another matrix Calculate forces of type f(:) = Trace(Pab*Sab(:))

Parameters

force	Vector to hold output forces
sab	Input vector of matrices, dimension (:,:,:)
pab	Input matrix
na	Active first dimension
nb	Active second dimension
m	Number of matrices to be traced
trans	Matrices are transposed (Sab and Pab)

Definition at line 370 of file ai_contraction.F.

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The documentation for this interface was generated from the following file:

• aobasis/ai_contraction.F