Unifying the Concepts of Scattering and Structure Factor in Ordered and Disordered Samples
Dingning Li and Kai Zhang
Division of Natural and Applied Sciences, Duke Kunshan University, Kunshan, Jiangsu, 215300, China
J. Appl. Cryst. (2021). 54, 644-660
https://doi.org/10.1107/S1600576721001965
https://scripts.iucr.org/cgi-bin/paper?S1600576721001965
Generally speaking, files presented here are codes for
simulation and results in paper with form of raw data.
"code_cpu" contains CPU simulation codes. they are
straightforward ones that runs on CPUs.
"code_gpu" contains GPU sim codes. they use gpu to do
parallel calculation thus accelerated the speed. Notice
that codes in "code_cpu" and "code_gpu" may not
correspond with each other.
"data" contains raw data for figures presented in paper.
they can be re-generated via python.
"images" contains the three 3d pictures of the cylinder
phase, leminar phase and sphere phase.
"xyz" contains coordinate informations for models used
as simulation samples in paper (files end with .xyz). it
also contains vmd scripts that generates observable 3d
picture from xyz files.