Changes in tests/Calculations/testsuite-calculations-mpqc.at [abfc95:605b92]

File:

• tests/Calculations/testsuite-calculations-mpqc.at (modified) (1 diff)

tests/Calculations/testsuite-calculations-mpqc.at

@@ -30 +30 @@
         ignore, 
         ignore)
+AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}'], 0, [stdout], [stderr])
+AT_CHECK([cat stdout | awk -v energy=$ENERGY 'function abs(x){return ((x < 0.0) ? -x : x)} {if (abs(($1 - energy)/energy) > 1e-5) exit(1)}'], 0)
+
 AT_CLEANUP