Added atomcoords which stores the input orientation at all stages of a geometry optimisation. Needed to add a flag to indicate when the GeoOpt was over to avoid extracting the final geometry twice.
Added atomcoords which stores the input orientation at all stages of a geometry optimisation. Needed to add a flag to indicate when the GeoOpt was over to avoid extracting the final geometry twice.

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