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

From: Benedict Reynolds
Subject: [ESPResSo-devel] typos in p3m.c, deletion of p_IK, mod of stress_tensor
Date: Tue, 28 Aug 2007 12:37:17 +0200
User-agent: Mozilla/5.0 (X11; U; Linux x86_64; en-US; rv:1.7.12) Gecko/20050921

Hey all,

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

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).


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