pele-python/pele — pull request #54 by smcantab (2014-07-16 14:22:16+00:00)
Title: improved _getLowestEigenVector

implemented the option of computing the lowest eigenvalue by diagonalizing the Hessian, instead of using the Raighleigh-Ritz method. This is useful when the RR method does not work, for example potentials with discontinuous second derivatives.