fix casscf-1 c1

[lcyyork]

Description

Add screening to remove small gradients (< 1.0e-12) for test case casscf-1.

User Notes

• Features added
• Changes to compilation (if any)

Checklist

• Added/updated tests of new features and included a reference output.ref file
• Removed comments in code and input files
• Documented source code
• Checked for redundant headers
• Checked for consistency in the formatting of the output file
• Documented new features in the manual
• Ready to go!

[fevangelista]

I think this makes sense as a solution, but I would add that in general it is good to have a MCSCF that can break symmetry (if this is what is happening). I did not have time to look at this yet, but I would like to see what happens to the final orbitals when this patch is not applied. Let me put this on hold for a second.