This workflow is a different version of Biruk's. It will calculate the S0 ground state with M06/6-31+G(d,p) in vacuum and S0 in solvent with wB97xD/6-31+G(d,p). It also calculates vertical excitation energies in vacuum and solvent with wB97xD/6-31+G(d,p).
In your ~/.bashrc add "PFLOW="loc_of_new_flow""
Also in your ~/.bashrc make sure you are sourcing the functions.sh script from the new pFlow.
That means changing "set -a; source /home/username/loc_of_old_flow/functions.sh; set +a" to
"set -a; source /home/username/loc_of_new_flow/functions.sh; set +a"
Use "git clone https://github.com/lopez-lab/vee_flow.git" to copy the directory to your home directory
To create a new flow use the setup_flow function "$PFLOW/utils/setup_flow.sh name_of_flow" in your scratch direcotry. This creates an instance of the workflow in your scratch directory where you can run active calculations but make sure the vee_flow code is still in your home directory.
To begin calculations use "$PFLOW/begin_calcs.sh" in the directory of the workflow
In your home directory where vee_flow was cloned, use "git pull origin master" to update with changes. Note, this does not change the workflow you created in your scratch directory.
When in your scratch flow directory, run "check_prog" in the command line to see the progression of the calculations.