mirror of https://gitlab.com/QEF/q-e.git
Merge branch 'develop' into 'develop'
Remove test on scf nb of iteration for EPW See merge request QEF/q-e!1073
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commit
c6c3b0a9c4
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@ -19,7 +19,6 @@ args=$(echo $fname | awk -F= '{print $NF}')
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## then
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# SCF
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e1=`grep ! $fname | tail -1 | awk '{printf "%12.6f\n", $5}'`
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n1=`grep 'convergence has' $fname | tail -1 | awk '{print $6}'`
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f1=`grep "Total force" $fname | head -1 | awk '{printf "%8.4f\n", $4}'`
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p1=`grep "P= " $fname | tail -1 | awk '{print $6}'`
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### fi
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@ -230,11 +229,6 @@ if test "$e1" != ""; then
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echo $e1
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fi
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if test "$n1" != ""; then
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echo n1
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echo $n1
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fi
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if test "$f1" != ""; then
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echo f1
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echo $f1
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@ -80,7 +80,6 @@ extract_program = XXXXXX/test-suite/extract-epw.sh
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inputs_args = ('*.in', '')
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run_cmd_template = tc.program tc.args tc.input tc.output tc.error
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tolerance = ( (1.0e-6, 5.0e-3, 'e1'),
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(5.0e+0, 5.0e-1, 'n1'),
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(1.0e-3, 1.0e-5, 'f1'),
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(1.0e-1, 5.0e-3, 'p1'),
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(1.0e-2, 1.0e-4, 'ef1'),
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@ -94,7 +93,7 @@ tolerance = ( (1.0e-6, 5.0e-3, 'e1'),
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(1.0e-5, 1.0e-5, 'q1'),
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(1.0e-5, 1.0e-5, 'dos1'),
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(1.0e-3, 5.0e-3, 'e2'),
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(1.0 , 2.0e-1, 'rsig'),
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(1.5 , 2.0e-1, 'rsig'),
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(1.5 , 5.0e-1, 'isig'),
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(1.0e-2, 1.0e-2, 'rpi'),
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(1.0e-2, 1.0e-2, 'ipi'),
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