Version 2.3 Projects
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Revision as of 07:52, 11 November 2009 by Ghutchis (Talk | contribs) (Created page with 'This page itemizes some projects targeted for release in version 2.3. * Further Software Archeology and cleanup * Use Cmake to build all platforms * Imp…')
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