Patches item #1818153, was opened at 2007-10-22 16:30 Message generated for change (Tracker Item Submitted) made by Item Submitter You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379135&aid=1818153&group_id=23629
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: File IO Group: None Status: Open Priority: 5 Private: No Submitted By: Matt Zwier (mczwier) Assigned to: Nobody/Anonymous (nobody) Summary: Spherical basis funcs and MolDen file format Initial Comment: Patch against SVN revision 8494 adds: 1) Support for the MolDen (http://www.cmbi.ru.nl/molden/molden.html) file format: * XYZ geometry * Basis set * MO energy and coefficients 2) Additional basis function support for MO isosurface generation: * Spherical D (5D) functions * Spherical F (7F) functions * Cartesian F (10F) functions 3) Spherical basis function support for Gaussian file imports. Additionally, this patch fixes an apparent bug in AtomSetCollectionReader.getStrings() which caused it to return an array containing multiple copies of the first field. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379135&aid=1818153&group_id=23629 ------------------------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Still grepping through log files to find problems? Stop. Now Search log events and configuration files using AJAX and a browser. Download your FREE copy of Splunk now >> http://get.splunk.com/ _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
