search

tmweigand / PMMoTo

Porous Media Morphological and Topological Analysis Toolkit
1 stars 0 forks source link

added test for LAMMPS dump and MA trim commentary #10

Closed rileyvickers closed 1 year ago

rileyvickers commented 1 year ago

Finished adding functionality required to analyze LAMMPS dump files generated from polyamide work. Added sample LAMMPS file, sectioned from actual 64x domain. Added some comments for future me working on trimming functionality.

Left my test.py conditions required and scipy.spatial import, just fyi.

Seeing significant deviation from on the grid and edt error norms, see attached file. lammps_test_out.txt

tmweigand commented 1 year ago

@rileyvickers I am a little confused how the grid error can be so high if they are calling the same files. That should be the first thing we look into. I am going to wait to merge this request until we figure that out.

rileyvickers commented 1 year ago

Fixed it, I didn't notice that lines 135-137 of test.py assumed that the origin was 0,0,0. Now they are aware, see attached for output of 51,51,51 case lammps_test_out.txt

tmweigand commented 1 year ago

Word. Thanks dude. That was my bad for not making that explicit.