Example script calls for something in directory that doesn't exist

The gaussian test script will call for some file in the directory of bheinjanke, please change this two following line from

source /home/bheinjanke/testenv/bin/activate
python /home/bheinjanke/neb-optimizer /home/bheinjanke/neb-optimizer/testjobs/gauss_example/example > /home/bheinjanke/neb-optimizer/testjobs/gauss_example/example/output.txt

to

source /home/$USER/neb-optimizer/neb-env/bin/activate
python /home/$USER/neb-optimizer /home/$USER/neb-optimizer/testjobs/gauss_example/example > home/$USER/neb-optimizer/testjobs/gauss_example/example/output.txt

This is under the assumption that the neb-optimizer directory will be setup at home/$USER

Molpro test script will load python3.6 instead of 3.8, and similar issue with the gaussian script directory issue

Orca test script have similar issue with the directory (but with the user lmeeder) please change all the name to $USER and verify if the directory exist

Please note that this is semi-addressed in readme.txt that comes with each script, but this would make for a more generalized script which would be beneficial for future user if they were to install this on their system