Hi cclib devepolers,
Do you have any plan for ORCA Hessian parser implementation? I have writtten some local python codes to read Hessian matrix from ORCA output .hess files using regular expression, it works well for my tested cases by confirming the obtained frequecies from the read Hessian. I can try to finish this feature if it is needed.
Hi cclib devepolers,
Do you have any plan for ORCA Hessian parser implementation? I have writtten some local python codes to read Hessian matrix from ORCA output .hess files using regular expression, it works well for my tested cases by confirming the obtained frequecies from the read Hessian. I can try to finish this feature if it is needed.