With current master (63480a7) running the following test produces an error very rarely. It is an error in the outputted eigenvector file and the max_eigenvalue is incorrect.
python test.py -t tests/wwdomain_CHARMM_VACUUM_HESSIAN.conf --verbose
Expected: 0.000000, Actual: -14.455000, Difference: 14.455000
Built on OS X with GCC 4.9.1 and standard lapack.
With current master (63480a7) running the following test produces an error very rarely. It is an error in the outputted eigenvector file and the max_eigenvalue is incorrect.
python test.py -t tests/wwdomain_CHARMM_VACUUM_HESSIAN.conf --verboseExpected: 0.000000, Actual: -14.455000, Difference: 14.455000Built on OS X with GCC 4.9.1 and standard lapack.