mech2d是一个Python软件包,用于计算二维材料的力学性能,包括elstaic常数张量、应力-应变曲线和其他相关性能。mech2d在生成变形结构、提交DFT计算任务和处理结果方面非常方便。
mech2d安装:
git clone git@gitee.com:haidi-hfut/mech2d.git
cd mech2d
python setup.py install
mech2d使用示范:
m2d -h
usage: m2d [-h] [-v] {init,run,post} ...
Desctiption:
------------
mech2d is a convenient script that use to calculate the mechanical properties of
2D materials, including EOS, Stress-Strain Curve, elastic constants and revalant
properties. The script works based on several sub-commands with their own options.
To see the options for the sub-commands, type "m2d sub-command -h".
positional arguments:
{init,run,post}
init Generating initial data for elastic systems.
run Run the DFT calculation for deformed structures.
post Post processing for elastic calculation.
optional arguments:
-h, --help show this help message and exit
-v, --version Display version
mech2d程序下载:
https://github.com/haidi-ustc/mech2d
声明:本站部分文章及图片源自用户投稿,如本站任何资料有侵权请您尽早请联系jinwei@zod.com.cn进行处理,非常感谢!