From: <bao...@us...> - 2007-01-30 12:09:18
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Revision: 479 http://svn.sourceforge.net/cclib/?rev=479&view=rev Author: baoilleach Date: 2007-01-30 04:09:17 -0800 (Tue, 30 Jan 2007) Log Message: ----------- Volume.py: I think that calculation of the wavefunction is working fine now (i.e. it integrates to 1), but there still seem to be issues with calculating the electron density (should integrate to the number of electrons, but doesn't). Modified Paths: -------------- trunk/src/cclib/method/volume.py This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |