This test case shows an example of running and analyzing a standard
F-SAPT0/jun-cc-pvdz procedure for phenol dimer from the S22 database.

input.dat - the input file
output.ref - the reference output file
fsapt-ref/* - the reference F-SAPT partition and analysis. 

    The PSI4 fisapt0 computation produced the following files:
    
    geom.xyz - the dimer geometry
    ZA.dat - the nuclear charges in monomer A 
    ZB.dat - the nuclear charges in monomer B
    QA.dat - the orbital atomic charges in monomer A
    QB.dat - the orbital atomic charges in monomer B
    Elst.dat - the nuclear and orbital F-SAPT partition for Elst
    Exch.dat - the nuclear and orbital F-SAPT partition for Exch
    IndAB.dat - the nuclear and orbital F-SAPT partition for IndAB
    IndBA.dat - the nuclear and orbital F-SAPT partition for IndBA
    Disp.dat - the nuclear and orbital F-SAPT partition for Disp
    
    The user (you!) created the fragment definition files (in 1-based
        order):
    
    fA.dat - the grouping of atoms to fragments in monomer A
    fB.dat - the grouping of atoms to fragments in monomer B

    Running the fsapt.py analysis script (fsapt.py) created the polished
    F-SAPT analysis:

    fsapt.dat - the numerical order-1/order-2 F-SAPT partition
    fragA.dat - a detailed description of the orbitals assigned the the
        fragments of monomer A
    fragB.dat - a detailed description of the orbitals assigned the the
        fragments of monomer B
    *pdb - PDB files containing the order-1 F-SAPT partition

    Running the copy_pymol.py (copy_pymol.py) script created the PyMol
    helper files:
    
    run.pymol - a master file to run all sub .pymol files
    orient.pymol - a file containing the desired view. Use the "Get View"
        directive in the PyMol GUI to copy the parameters for your desired
        view and paste into this file
    vis.pymol - directives for the lighting and textures of the scene
    *pymol - files to plot and render .png images of the order-1 F-SAPT
        PDB files

    Running @run.pymol in PyMol created all the images:
    
    *png - F-SAPT order-1 analysis images.
