QA tests and verification for nwchem 6.5 and hess/vib modules


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Forum Vet
Please add the following line to the beginning of the input file to start from scratch

start cluster

In other words, the top part of your input file should become


start cluster
echo
title "cluster"
memory total 2000 mb #I thought segmentation fault was due to some memory issues, so increase total from 400 to 2000mb.

geometry autosym
Pd -3.78493565 1.99241247 -0.78722757