11.5.1. StructOpt¶
ATTENTION: StructOpt is being moved to its own repository for further improvement. Please see http://github.com/uw-cmg/StructOpt_modular and contact its developers for more information. (2017-03-07)
Author: Amy Kaczmarowski
Research and development: Min Yu, Hyunseok Ko
StructOpt is a general optimizer for python, targeted at identifying stable atomic structures.
StructOpt is available as a standalone tool located at
<MAST installation directory or unzipped MAST-<version>.tar.gz directory>/MAST/structopt.- Integration with MAST and use with VASP is under development.
For more information, please see the user guide at
<MAST installation directory or unzipped MAST-<version>.tar.gz directory>/MAST/structopt/StructOpt_User_Guide_v1.docx- If the user guide is not present, please download and unzip the full tar.gz file from http://dx.doi.org/10.5281/zenodo.11917 and look under
MAST/structopt
- If the user guide is not present, please download and unzip the full tar.gz file from http://dx.doi.org/10.5281/zenodo.11917 and look under
11.5.1.1. STEM supplement to code¶
Author: Min Yu
Structopt has been extended to be able to read in a structure and simulate a STEM image using a convolution method.
