Patches item #1818153, was opened at 2007-10-22 15:30 Message generated for change (Comment added) made by hansonr 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: Closed 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. ---------------------------------------------------------------------- >Comment By: Bob Hanson (hansonr) Date: 2008-08-14 13:42 Message: Logged In: YES user_id=1082841 Originator: NO implemented. ---------------------------------------------------------------------- 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 the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
