The MolSSI Driver Interface Project#
The MolSSI Driver Interface (MDI) project provides a standardized API for fast, on-the-fly communication between computational chemistry codes. Traditionally, enabling communication between various computational chemistry codes has required a cumbersome process of writing and reading files to disk. The MolSSI Driver Interface (MDI) project offers a streamlined API that facilitates direct, on-the-fly communication between different programs. With MDI, researchers can now seamlessly link multiple computational tools using a Python or C++ script, bypassing the need for intermediate files.
Learn how to use MDI for ab initio MD and how to write your own driver.
The User Guide provides detailed information on the design of and how to use MDI.
The API Reference provides detailed information on the MDI Standard, including the C, C++, and Python APIs.