Follow-up Comment #34, sr #3124 (project relax):
The theta calculation in relax is:
# Calculate the tilt angle.
omega1 = point * 2.0 * pi
Delta_omega = shifts[ei][si][mi] - offsets[ei][si][mi][oi]
Domega[ei][si][mi][oi].append(Delta_omega)
if Delta_omega == 0.0:
theta[ei][si][mi][oi].append(pi / 2.0)
else:
theta[ei][si][mi][oi].append(atan(omega1 / Delta_omega))
_______________________________________________________
Reply to this item at:
<http://gna.org/support/?3124>
_______________________________________________
Message sent via/by Gna!
http://gna.org/