Re: [ESPResSo-devel] typos in p3m.c, deletion of p_IK, mod of stress_tensor

[Torsten Stuehn]

> 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
> "g_energy_dip"?

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.

Torsten.

--
Dr. Torsten Stühn
MPI für Polymerforschung
Ackermannweg 10
55128 Mainz / Germany

Tel.  +49-(0)6131-379268
Fax   +49-(0)6131-379100 
EMail address@hidden

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