dftbplus/dftbplus

DFTB+ general package for performing fast atomistic simulations

FortranPythonCMakeOtherquantum-mechanicsdensity-functional-theorytight-bindingatomistic-simulationsdftb
This is stars and forks stats for /dftbplus/dftbplus repository. As of 04 May, 2024 this repository has 281 stars and 154 forks.

DFTB+: general package for performing fast atomistic calculations DFTB+ is a software package for carrying out fast quantum mechanical atomistic calculations based on the Density Functional Tight Binding method. The most recent features are described in the (open access) DFTB+ paper. DFTB+ can be either used as a standalone program or integrated into other software packages as a library. Installation Obtaining via Conda The preferred way of obtaining DFTB+ is to install it via the conda package management...
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