A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.

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CMMDE/cmmde_gui

History

Aditya Wibawa Sakti 57d8339d20 addition to xTB functions		2 years ago
..
molekul	bug fix opt orca	2 years ago
test	addition to xTB functions	2 years ago
gui.py	addition to xTB functions	2 years ago