forked from Lainports/freebsd-ports
10 lines
476 B
Text
10 lines
476 B
Text
Libmbd implements the many-body dispersion (MBD) method in several
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programming languages and frameworks:
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The Fortran implementation is the reference, most advanced
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implementation, with support for analytical gradients and distributed
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parallelism, and additional functionality beyond the MBD method
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itself. It provides a low-level and a high-level Fortran API, as well
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as a C API. Furthermore, Python bindings to the C API are provided.
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WWW: https://github.com/libmbd/libmbd
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