Forum General > Miscellaneous

Using Python to help with Turbomole or TmoleX

(1/1)

ym21d@fsu.edu:
Does anyone know where I can find information about using Python to help with doing Turbomole or TmoleX calculations? I've heard that learning Python can be useful in doing computational chemistry, but I don't know how to apply it.

Thank you,
Yael

uwe:
Hello,

there is a Python package that deals with Turbomole (input generation and output parsing) named turbomoleio. See:

https://github.com/Matgenix/turbomoleio

Hope that helps, Uwe

Navigation

[0] Message Index