Hi All,
I have an integrator that will track quaternion orientations. See the attached fix_nve_sphere_orientation.cpp/h files. In order to use this, you have to compile liggghts with the molecule and asphere packages.
In order to use the integrator, you must use a hybrid atom_style
atom_style hybrid granular molecular ellipsoid
The attached input script and read_data file show the usage in greater detail.
You actually dont need molecular atom_style, but I have included it as it is necessary on my way to developing a bonded particle model.
I need help testing it, check it out. Laterz,
Zamir
EDIT: I put a .txt file extension after each file per the upload rules. I just noticed that underscores were added to the filenames upon upload, you will have to delete them before you compile and run.
EDIT 2 (oct 15, 2014): I updated the cpp and h files because there were some bugs in the first upload.
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ckloss | Thu, 10/09/2014 - 11:20
Thanks for the inspiration -
Thanks for the inspiration - good idea. I'll put something similar into the next release!
Best wishes
Christoph
zamir | Wed, 10/15/2014 - 20:44
There were a few bugs in the
There were a few bugs in the first update, I have updated the cpp and h files with a tested version.
ckloss | Thu, 10/30/2014 - 14:36
This actually coincides with
This actually coincides with http://www.cfdem.com/forums/bonded-particle-model-0
I will come back to you with respect to both things!
best wishes
Christoph