Volume: forgot to include the homo itself, when calculating the electron density. Still seems strange though; not quite symmetric when visualised.
Volume: forgot to include the homo itself, when calculating the electron density. Still seems strange though; not quite symmetric when visualised.

git-svn-id: d468cea6ffe92bc1eb1f3bde47ad7e70b065426a@282 5acbf244-8a03-4a8b-a19b-0d601add4d27

Clyde-fare/cclib_bak,Clyde-fare/cclib_bak