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Welcome to the LIO wiki! And thank you for using LIO.

Please refer to the sidebar for more information on both usage and codebase.

First steps

If you don't know where to run, you may want to start by performing your own LIO installation!

Once you have successfully installed LIO, you may also want to take a look at LIO+MM installations. Once that is done, congratulations! You are all ready and set for QM/MM molecular dynamics!