Getting Started#

You might choose to write an overview tutorial or set of tutorials.

This page details how to get started with molecool. Molecool is a package which was developed for the MolSSI Best Practices workshop.

Installation#

To install molecool, you will need an environment with the following packages:

Once you have these packages installed, you can install molecool in the same environment using

pip install -e .

#include <iostream>

int main(void)
{
    std::cout << "Hello, world!";
    return 0;
}