libmbd
0.12.5_4Many-body dispersion library
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.
Origin: science/libmbd
Category: science
Size: 784KiB
License: MPL20
Maintainer: yuri@FreeBSD.org
Dependencies: 2 packages
Required by: 2 packages
Website: github.com/libmbd/libmbd
$
pkg install libmbdDependencies (2)
Required By (2 packages)
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