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From: Carlo Segre <segre@debian.org>
Date: Tue, 6 Aug 2024 12:53:43 +0200
Subject: Patches to the FORTRAN source
* Enable FEFF to calculate chi
* Modify array dimensioning for increased capacity
---
src/feff6/feff.f | 10 +++++-----
src/lib/iff_show.f | 8 ++++----
2 files changed, 9 insertions(+), 9 deletions(-)
diff --git a/src/feff6/feff.f b/src/feff6/feff.f
index 3f7497b..0ec0092 100644
--- a/src/feff6/feff.f
+++ b/src/feff6/feff.f
@@ -117,11 +117,11 @@ c Dump out fbetac for central atom and first pot
call genfmt (ipr3, critcw, sig2g, iorder)
endif
-c if (mchi .eq. 1) then
-c call echo('Calculating chi...')
-c call ff2chi (ipr4, critcw, s02, tk, thetad, icsig,
-c 1 vrcorr, vicorr)
-c endif
+ if (mchi .eq. 1) then
+ call echo('Calculating chi...')
+ call ff2chi (ipr4, critcw, s02, tk, thetad, icsig,
+ 1 vrcorr, vicorr)
+ endif
call echo('Feff done. Have a nice day.')
end
diff --git a/src/lib/iff_show.f b/src/lib/iff_show.f
index b628372..f54f7af 100644
--- a/src/lib/iff_show.f
+++ b/src/lib/iff_show.f
@@ -431,8 +431,8 @@ c
character*(*) s, t , messg*256
integer k, j, istrln
external istrln
- k = max(13, istrln(s))
- j = max(2, istrln(t))
+ k = min(max(13, istrln(s)),256)
+ j = min(max(2, istrln(t)), 252-k)
write(messg,11) s(1:k), ' = ', t(1:j)
call echo(messg)
11 format('$',3a)
@@ -443,8 +443,8 @@ c
character*(*) s, t , messg*256
integer k, j, istrln
external istrln
- k = max(14, istrln(s))
- j = max(2, istrln(t))
+ k = min(max(14, istrln(s)), 256)
+ j = min(max(2, istrln(t)), 253-k)
write(messg,11) s(1:k), ': ', t(1:j)
call echo(messg)
11 format (3a)
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