Re: CCL:Semi-empirical methods

["Richard P. Muller" <rpm |-at-| wag.caltech.edu>]

 Along the lines of this thread...
 Is there an open-source AM1 or PM3 program available? I've been working
 on divide-and-conquer type approaches to linear scaling quantum
 chemistry. I'd like to release the results of my work to the general
 community, but it's only CNDO, and I don't feel that this would be
 helpful to anyone (in particular I'd like to get forces done). However,
 if there is a simple AM1 code available, I'd be glad to put my D&C code
 into this.
 My goal is to get DFT working in the next couple of months, but that
 will require a bit more work.
 Happy computing,
 Rick
 --
 Richard P. Muller, Ph.D.
 rpm |-at-| wag.caltech.edu
 http://www.wag.caltech.edu/home/rpm