spce/re tutorials is broken in 1.6
junghans opened this issue · comments
Updating parameters
an error occurred:
Hessian NOT a positive definite!
This can be a result of poor initial guess or ill-suited CG potential settings or poor CG sampling.
reported here:
https://groups.google.com/d/msg/votca/wFNG1mmKwSU/9H4AZ_rfDQAJ
The tutorial still worked in v1.5.1