Version 2.3 Projects

This page itemizes some projects targeted for release in version 2.3.

• Further Software Archeology and cleanup
• Use Cmake to build all platforms
• Improved documentation, including more C++ and Python example code
• Test suite improvements using Ctest and Cdash -- automated nightly testing on Linux, Windows, and Mac
• New 2D structure layout code
• Improved stereochemistry
• Improved aromaticity / Kekulization
• New file formats
  •  ???
• Added data types
  • Raman vibrational modes
  • Electronic structure (i.e., orbital energies)
  • Conformers from geometry optimizations
  • NMR data from QM codes