made task freq work with numerical flag. must reset numerical to false then to finite difference and then restore numerical to rtdb.   This allows task_gradient the option of doing analytic or FD depending upon theory.
made task freq work with numerical flag.
must reset numerical to false then to finite difference and then restore
numerical to rtdb.   This allows task_gradient the option of doing analytic or FD
depending upon theory.

rak



rangsimanketkaew/NWChem