Hello,
How to do (more or less) the same with BLAS Level3
in an efficient way? Data structure may be changed.
Any suggestions?
It is numerical integraltion of potential function V
on the grid in space over basis functions FUNC:
A kind of < Fm | V | Fn >
trimat = 0.0
mn = 0 ! metaindex for triangular
matrix storage
do m=1,NBas ! number of basis function FUNC
do n=1,m
mn = mn + 1
do gamma=1,NDegen ! number of degenrate functions
do p=1,NPnt ! number of grid points
t rimat(mn) += FUNC(p,m,gamma) * V(p) *
FUNC(p,n,gamma)
! ^^^ (just to shorten the
expression)
endo
enddo
enddo
enddo
Alexei Matveev
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