Subject: Error Function [ERF] Code

From: [email-masked]
Date: Tue, 22 Feb 2000 09:28:08 +0000

Hello!

I'm aware that most gaussian function based ab initio codes make copious
use of ERF in the calculation of Vee and Ven, and that most codes have
their own way of computing this information.  Can someone please point
me to a source for a fortran code to do compute ERF, however slow it
might be?

Many thanks!

John McKelvey

---

From: Matt Challacombe <[email-masked]>
Date: Tue, 22 Feb 2000 08:59:53 -0700

The slatec/fnlib functions derf, derfc, initds, dcsevl, and d1mach
(available from netlib) should fix you up.  Note that the 
d1mach is used also by lapack, and you can get inappropriate machine 
values if you are not careful.  

Cheers, Matt

On Tue, 22 Feb 2000, [email-masked] wrote:
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