Energy multispheres

Submitted by Westbrink on Mon, 04/18/2016 - 14:40

Hello everybody,

each simulation run it appears the following warning after the "Setting up run...".

WARNING: Energy calculated for multisphere particles is currently not correct (../fix_multisphere.cpp:1014)

Does everyone knows how to solve the problem ?
A typical multisphere command in my code looks like this :

fix ms1 all particletemplate/multisphere 1 atom_type 1 density constant 1566 nspheres 552 ntry 1000000 spheres file data/mstemplate scale 0.001 type 1

Thank you!

ckloss's picture

ckloss | Mon, 04/25/2016 - 22:23

Hi Westbrink,

compute ke/multisphere correctly calculates this! For the next release, we're planning an update that the standard "ke" keyword does the correct calculation!

Best wishes
Christoph