1. Vastly improved Gaussian input file parsing that supports more varieties of input specifications. 2. StructureNL now supports molecules as well as structures. 3. Updated atomic and vdw radius for Elements. 4. Miscellaneous bug fixes and speedups.
1. Vastly improved Gaussian input file parsing that supports more varieties of input specifications. 2. StructureNL now supports molecules as well as structures. 3. Updated atomic and vdw radius for Elements. 4. Miscellaneous bug fixes and speedups.