projects
/
unres.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
| inline |
side by side
ctest wham newcorr
[unres.git]
/
ctest
/
prota_unres_energy_check_mult.sh
diff --git
a/ctest/prota_unres_energy_check_mult.sh
b/ctest/prota_unres_energy_check_mult.sh
index
20f16a8
..
0f77dcd
100644
(file)
--- a/
ctest/prota_unres_energy_check_mult.sh
+++ b/
ctest/prota_unres_energy_check_mult.sh
@@
-227,7
+227,7
@@
elif [ "$1" == "Ts866_checkgrad_full" ] ; then
ene=`grep ETOT $file|head -1| awk '{print $2*1.0}'`
hene=`grep H_CONS $file|head -1| awk '{print $2*1.0}'`
- ene_ref=3124.347
+ ene_ref=3124.502
hene_ref=1872.981
echo "ETOT= " ${ene} " reference= " ${ene_ref}