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Adam's cluster & unres corrections
[unres.git]
/
source
/
cluster
/
wham
/
src-HCD
/
energy_p_new.F
diff --git
a/source/cluster/wham/src-HCD/energy_p_new.F
b/source/cluster/wham/src-HCD/energy_p_new.F
index
119bad6
..
db2e043
100644
(file)
--- a/
source/cluster/wham/src-HCD/energy_p_new.F
+++ b/
source/cluster/wham/src-HCD/energy_p_new.F
@@
-2899,7
+2899,7
@@
C fac_shield(i)=0.4
C fac_shield(j)=0.6
endif
eel_loc_ij=eel_loc_ij
- & *fac_shield(i)*fac_shield(j)
+ & *fac_shield(i)*fac_shield(j)*sss
if (energy_dec) write (iout,'(a6,2i5,0pf7.3)')
& 'eelloc',i,j,eel_loc_ij
c if (eel_loc_ij.ne.0)