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https://github.com/TREX-CoE/irpjast.git
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Fastest version without pow
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@ -19,15 +19,16 @@ BEGIN_PROVIDER [double precision, factor_een]
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c_inv = 1.d0/c
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c_inv = 1.d0/c
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do p = 2, ncord
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do p = 2, ncord
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x = 1.d0
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x = 1.d0
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! t0 = x* c** (rshift(p,1))
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! t = t0
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do k = 0, p - 1
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do k = 0, p - 1
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if ( k /= 0 ) then
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if ( k /= 0 ) then
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lmax = p - k
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lmax = p - k
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else
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else
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lmax = p - k - 2
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lmax = p - k - 2
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end if
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end if
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t = x* c** (rshift(p - k,1))
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t = x
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do l=1,rshift(p - k,1)
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t = t*c
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end do
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! We have suppressed this if from the following loop:
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! We have suppressed this if from the following loop:
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! if ( iand(p - k - l, 1) == 0 ) then
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! if ( iand(p - k - l, 1) == 0 ) then
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!
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!
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@ -40,7 +41,6 @@ BEGIN_PROVIDER [double precision, factor_een]
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y = a
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y = a
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z = b
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z = b
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endif
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endif
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! print *, ''
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do l = iand(p-k,1), lmax, 2
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do l = iand(p-k,1), lmax, 2
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! if (iand(p-k-l,1) == 0) then
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! if (iand(p-k-l,1) == 0) then
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factor_een = factor_een + cord_vect(l, k, p, alpha) * (y+z) * t
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factor_een = factor_een + cord_vect(l, k, p, alpha) * (y+z) * t
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@ -50,7 +50,6 @@ BEGIN_PROVIDER [double precision, factor_een]
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end do
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end do
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x = x * u
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x = x * u
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end do
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end do
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! t0 = t0*c_inv
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end do
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end do
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end do
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end do
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end do
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end do
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