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Description: Patches to the FORTRAN source
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* Enable FEFF to calculate chi
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* Modify array dimensioning for increased capacity
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Author: Carlo Segre <segre@debian.org>
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--- ifeffit-1.2.11d.orig/src/feff6/feff.f
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+++ ifeffit-1.2.11d/src/feff6/feff.f
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@@ -117,11 +117,11 @@ c Dump out fbetac for central ato
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call genfmt (ipr3, critcw, sig2g, iorder)
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-c if (mchi .eq. 1) then
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-c call echo('Calculating chi...')
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-c call ff2chi (ipr4, critcw, s02, tk, thetad, icsig,
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+ if (mchi .eq. 1) then
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+ call echo('Calculating chi...')
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+ call ff2chi (ipr4, critcw, s02, tk, thetad, icsig,
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call echo('Feff done. Have a nice day.')
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--- ifeffit-1.2.11d.orig/src/lib/iff_show.f
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+++ ifeffit-1.2.11d/src/lib/iff_show.f
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character*(*) s, t , messg*256
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- k = max(13, istrln(s))
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- j = max(2, istrln(t))
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+ k = min(max(13, istrln(s)),256)
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+ j = min(max(2, istrln(t)), 252-k)
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write(messg,11) s(1:k), ' = ', t(1:j)
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character*(*) s, t , messg*256
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- k = max(14, istrln(s))
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- j = max(2, istrln(t))
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+ k = min(max(14, istrln(s)), 256)
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+ j = min(max(2, istrln(t)), 253-k)
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write(messg,11) s(1:k), ': ', t(1:j)