search

mcodev31 / libmsym

molecular point group symmetry lib
MIT License
73 stars 33 forks source link

Symmetrie Determination #20

Closed pythonnewbie3 closed 2 years ago

pythonnewbie3 commented 3 years ago

Hello, is there a documentation available or how can I determine the Symmetrie of a Molecule?

mcodev31 commented 2 years ago

Hi,

The only documentation is the README.txt where you'll find instructions on how to build this, including the examples which are capable of finding the symmetry of a molecule in an xyz file (within reasonable tolerance).