CppMD

This project is simplification of SimpleMD project - molecular dynamics software which can be used to simulate Lennard-Jones systems.

How to use

Build CppMD

mkdir build && cd build
cmake .. && make -j

Run CppMD

./CppMD -c FILE.xyz

Visualize results with Paraview by using point gaussian

Tests

All tests using boost unit test framework. How to run the test:

make test

How to run the test coverage:

lcov --zerocounters --directory .
lcov --capture --initial --directory . --output-file app

make test

lcov --no-checksum --directory . --capture --output-file app.info
genhtml app.info

Docs

How to build documentation:

make doc