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Pymbd is Python bindings for Libmbd.
Libmbd implements the many-body dispersion (MBD) method in several
programming languages and frameworks:
The Fortran implementation is the reference, most advanced
implementation, with support for analytical gradients and distributed
parallelism, and additional functionality beyond the MBD method
itself. It provides a low-level and a high-level Fortran API, as well
as a C API. Furthermore, Python bindings to the C API are provided.
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