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Merge branch 'develop' into 'develop' 

Remove test on scf nb of iteration for EPW

See merge request QEF/q-e!1073
This commit is contained in:
Samuel Poncé 2020-08-24 14:36:46 +00:00
parent 74c3bf57bc 4857cc0e7e
commit c6c3b0a9c4
2 changed files with 1 additions and 8 deletions
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6
test-suite/extract-epw.sh
View File

@ -19,7 +19,6 @@ args=$(echo $fname | awk -F= '{print $NF}')
## then
# SCF
e1=`grep ! $fname | tail -1 | awk '{printf "%12.6f\n", $5}'`
n1=`grep 'convergence has' $fname | tail -1 | awk '{print $6}'`
f1=`grep "Total force" $fname | head -1 | awk '{printf "%8.4f\n", $4}'`
p1=`grep "P= " $fname | tail -1 | awk '{print $6}'`
### fi
@ -230,11 +229,6 @@ if test "$e1" != ""; then
echo $e1
fi
if test "$n1" != ""; then
echo n1
echo $n1
fi
if test "$f1" != ""; then
echo f1
echo $f1

3
test-suite/userconfig.tmp
View File

@ -80,7 +80,6 @@ extract_program = XXXXXX/test-suite/extract-epw.sh
inputs_args = ('*.in', '')
run_cmd_template = tc.program tc.args tc.input tc.output tc.error
tolerance = ( (1.0e-6, 5.0e-3, 'e1'),
(5.0e+0, 5.0e-1, 'n1'),
(1.0e-3, 1.0e-5, 'f1'),
(1.0e-1, 5.0e-3, 'p1'),
(1.0e-2, 1.0e-4, 'ef1'),
@ -94,7 +93,7 @@ tolerance = ( (1.0e-6, 5.0e-3, 'e1'),
(1.0e-5, 1.0e-5, 'q1'),
(1.0e-5, 1.0e-5, 'dos1'),
(1.0e-3, 5.0e-3, 'e2'),
(1.0 , 2.0e-1, 'rsig'),
(1.5 , 2.0e-1, 'rsig'),
(1.5 , 5.0e-1, 'isig'),
(1.0e-2, 1.0e-2, 'rpi'),
(1.0e-2, 1.0e-2, 'ipi'),