IRC Step Back-Transformation Not Converging

[jmisiewicz]

@avcopan

Separate issue – for reading in a Hessian that wasn’t computed within the same job, I believe you are going to run into problems. Specifically, at some point the libmints function get_writer_file_prefix began including the process ID – it wasn’t a problem before that. Since there is no way to know the PID in advance, this prevents the user from reading in a Hessian that was computed in a separate job.

I can get around this because my cluster manager modifies Psi4 so it can read in the Hessian without a PID. This, of course, does nothing for the general case.

Some users have reported problems with supplying files due to a lack of a PID here. One of these files is the internal coordinate file for an optimization.