From: Curtis J. <cl...@us...> - 2006-04-28 00:25:19
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Update of /cvsroot/mpqc/mpqc/src/lib/chemistry/qc/basis In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv26663/src/lib/chemistry/qc/basis Modified Files: Tag: release-2-3-branch gaussbas.h Log Message: Numerous documentation improvements. Index: gaussbas.h =================================================================== RCS file: /cvsroot/mpqc/mpqc/src/lib/chemistry/qc/basis/gaussbas.h,v retrieving revision 2.13.6.1 retrieving revision 2.13.6.2 diff -u -d -r2.13.6.1 -r2.13.6.2 --- gaussbas.h 6 Sep 2005 04:45:43 -0000 2.13.6.1 +++ gaussbas.h 28 Apr 2006 00:25:03 -0000 2.13.6.2 @@ -223,12 +223,15 @@ /// This can be given to a CTOR to construct a unit basis function. enum UnitType {Unit}; - /** The KeyVal constructor. + /** This KeyVal constructor is used to generate a GaussianBasisSet + object from the input. A list of recognized basis sets are given + in the GaussianBasisSet class overview. The full list of keywords + that are accepted is below. <dl> - <dt><tt>molecule</tt><dd> The gives a Molecule object. The is no - default. + <dt><tt>molecule</tt><dd> This gives a Molecule object. There is + no default. <dt><tt>puream</tt><dd> If this boolean parameter is true then 5D, 7F, etc. will be used. Otherwise all cartesian functions will be |