That's in.

load "full_PBE40.out"
color property_spin
print {*/1}.property_magneticMoment.all

select property_spin = 1;  label "\u2191"  # up arrow
select property_spin = -1;  label "\u2193"  # down arrow
select *;font label 30
color property_magneticMoment

OK, so now we can add this sort of thing to any reader and have any number of properties added.


On Sat, Feb 27, 2010 at 5:13 PM, P.Canepa <> wrote:

I'm going to add a general method for adding any sort of atom property data for any reader.

Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
phone: 507-786-3107

If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900