DFTB+ developers group

DFTB+ developers group's repositories

DFTB+ general package for performing fast atomistic simulations

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Modern Fortran wrappers around MPI routines

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Basic programs for generating Slater-Koster files for the DFTB-method

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Modern Fortran wrappers around ScaLAPACK routines

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Library version of S. Grimmes DFTD3 code.

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DFTB+ recipes

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DFTB+ calculator for ASE

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Python routines to manipulate HSD data

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DFTB+ developer guide

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Files and scripts used to generate DFTB+ developer pages

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Parametrisations used for testing DFTB+

Github pages for dftbplus

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