# NWChem/Ecce Users Meeting
May 19, 1999

When in doubt, use the NWChem home page for information.

If you are EMSL staff or an EMSL collaborator please use the standard
support form (nwchem-support@emsl.pnl.gov)
to report problems.
Even better, you can use the
Java reporting tool
developed by Danielle Farrar.

The next release of NWChem will be at the end of June, 1999 and will include the following features:

- Interface with Python,
- ECP bug with R to the power of zero fixed,
- ECP atomic guess is more robust,
- DFT uses faster Texas integrals and can use sphericals,
- Addition of Handy and BP97 DFT functionals,
- autosym capabilities,
- Use of constraints in geometry optimization,
- Addition of GIAO capabilities for NMR properties (up through g functions and only with cartesians),
- Calculation of Electrostatics with CHELP and RESP is more robust,
- Can send plot of electrostatic potential on a grid to a file for viewing with GOpenMol,
- MD analysis tools are improved,
- Car-Parrinello functionality,
- Linux build works with PGI compiler (default is EGCS with g77 and gcc which works uder Slackware, RedHat and Debian),
- DEC Unix is now available (there is a link problem work around), and
- Expanded FAQ page.

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