dftd4/dftd4: DFT-D4 release 3.2.0
- Sebastian Ehlert
- Eike Caldeweyher
- Eisuke Kawashima
- Andy May
- Lori A. Burns
- Mazay0
- Nick Papior
- Johannes Gorges
Publication date
May 2021
DOIAbstract
Feature release Allow pairwise resolved dispersion calculation Allow linking against MKL real time library Enable usage parameter data file in Python API Install module files in meson to include/dftd4/-/ Convenience function to combine DFTD4 with other ASE calculators Pip can now be used to build extension module against existing DFT-D4 installatio
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