EVB MD

This is a project to create a classical MD suite with support for reactions via EVB support.

Build

Build dependencies,

• cmake/ctest 3.16 or higher
• googletest 1.12.1
• ninja 1.10 - optional
• pre-commit 3.0.4 - optional

You can build with any generator you want, however ninja is suggested.

mkdir build
cmake -B build -GNinja .
cd build
ninja EVB_MD

After build the project, you can run the tests, use the following,

cd build
ninja tests