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tests/Calculations/testsuite-calculations-naphthalene.at
r343c5a r605b92 45 45 --fragment-resultfile ${FILENAME}_results.dat], 46 46 0, [stdout], [stderr]) 47 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk -v energy=$ENERGY 'function abs(x){return ((x < 0.0) ? -x : x)} {if (abs(($2 - energy)/energy) > 1e-5) exit(1)}'], 0) 47 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}'], 0, [stdout], [stderr]) 48 AT_CHECK([cat stdout | awk -v energy=$ENERGY 'function abs(x){return ((x < 0.0) ? -x : x)} {if (abs(($1 - energy)/energy) > 1e-5) exit(1)}'], 0) 48 49 49 50 AT_CLEANUP 50
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