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Re: [ESPResSo-devel] typos in p3m.c, deletion of p_IK, mod of stress_ten
Re: [ESPResSo-devel] typos in p3m.c, deletion of p_IK, mod of stress_tensor
Tue, 28 Aug 2007 14:01:59 +0200
Thunderbird 18.104.22.168 (X11/20070221)
Just checked out a fresh Espresso from cvs and got errors when making.
Looks like there're two typocs in p3m.c but didn't want to fix it myself
'cause I don't know anything about the electrostatics stuff. There's a
"g_energy__dip" and a "g_dip_energy" that should probably both be
You are right, this is a bug (which only occurs, when DIPOLES and ROTATION
are switched on).
I will repair it.
Also I'm planning on deleting "analyze p_IK" and supplementing "analyze
stress_tensor" with "analyze local_stress_tensor" as mentioned earlier.
No one complained so I'm going ahead. I will also correct "analyze
stress_tensor" such that the tensor elements are 3 times their current
values to be consisistent with the usual definition of a stress tensor
(i.e. diagonal elements should sum to 3*pressure not 1*pressure).
ok with me. But don't forget to update and check the documentation in the
users guide too.
Dr. Torsten Stühn
MPI für Polymerforschung
55128 Mainz / Germany
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