Now calculates scftargets correctly, at least for GeoOpts (need to double-check for single point). Only problem is that we need to redefine scftargets as a 2D Numeric array, not just a 1-D.
Now calculates scftargets correctly, at least for GeoOpts (need to double-check for single point). Only problem is that we need to redefine scftargets as a 2D Numeric array, not just a 1-D.

jchodera/cclib,langner/cclib,Schamnad/cclib,ATenderholt/cclib,ben-albrecht/cclib,berquist/cclib,cclib/cclib,ghutchis/cclib,gaursagar/cclib,berquist/cclib,cclib/cclib,ben-albrecht/cclib,langner/cclib,gaursagar/cclib,andersx/cclib,berquist/cclib,ATenderholt/cclib,andersx/cclib,Clyde-fare/cclib,cclib/cclib,langner/cclib,jchodera/cclib,Clyde-fare/cclib,ghutchis/cclib,Schamnad/cclib