Commit 2a90300d authored by James Willis's avatar James Willis
Browse files

Test interaction calculations using 1 and 2 vectors.

parent a0a0e04b
......@@ -2,7 +2,7 @@
echo ""
rm -f test_nonsym_density_serial.dat test_nonsym_density_vec.dat
rm -f test_nonsym_density_serial.dat test_nonsym_density_vec.dat test_nonsym_force_serial.dat test_nonsym_force_vec.dat
echo "Running ./testInteractions"
......@@ -13,15 +13,42 @@ if [ $? != 0 ]; then
else
if [ -e test_nonsym_density_serial.dat ]
then
if python @srcdir@/difffloat.py test_nonsym_density_serial.dat test_nonsym_density_vec.dat @srcdir@/tolerance_testInteractions.dat
if python @srcdir@/difffloat.py test_nonsym_density_serial.dat test_nonsym_density_1_vec.dat @srcdir@/tolerance_testInteractions.dat
then
echo "Accuracy test passed"
echo "Calculating density using 1 vector accuracy test passed"
else
echo "Accuracy test failed"
echo "Calculating density using 1 vector accuracy test failed"
exit 1
fi
if python @srcdir@/difffloat.py test_nonsym_density_serial.dat test_nonsym_density_2_vec.dat @srcdir@/tolerance_testInteractions.dat
then
echo "Calculating density using 2 vectors accuracy test passed"
else
echo "Calculating density using 2 vectors accuracy test failed"
exit 1
fi
else
echo "Error Missing density test output file"
exit 1
fi
if [ -e test_nonsym_force_serial.dat ]
then
if python @srcdir@/difffloat.py test_nonsym_force_serial.dat test_nonsym_force_1_vec.dat @srcdir@/tolerance_testInteractions.dat
then
echo "Calculating force using 1 vector accuracy test passed"
else
echo "Calculating force using 1 vector accuracy test failed"
exit 1
fi
if python @srcdir@/difffloat.py test_nonsym_force_serial.dat test_nonsym_force_2_vec.dat @srcdir@/tolerance_testInteractions.dat
then
echo "Calculating force using 2 vectors accuracy test passed"
else
echo "Calculating force using 2 vectors accuracy test failed"
exit 1
fi
else
echo "Error Missing test output file"
echo "Error Missing force test output file"
exit 1
fi
fi
......
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