Simple-DFTD3
Reimplementation of the D3 dispersion correction. The s-dftd3 project aims toprovide a user-friendly and uniform interface to the D3 dispersion model andfor the calculation of DFT-D3 dispersion corrections.
Available modules
The overview below shows which Simple-DFTD3 installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).
To start using Simple-DFTD3, load one of these modules using a module load command like:
module load Simple-DFTD3/1.2.1-gfbf-2024a
(This data was automatically generated on Thu, 22 Jan 2026 at 12:03:27 EST)
| gateway | generic | zen2 | zen3 | zen4 | skylake_avx512 | |
|---|---|---|---|---|---|---|
| Gateway nodes | everywhere (except Grace nodes) | amd20 | amd22 | amd24 | intel18,amd20-v100,amd21,intel21 | |
| Simple-DFTD3/1.2.1-gfbf-2024a | - | x | - | - | - | - |
| Simple-DFTD3/0.7.0-foss-2023a | - | x | - | - | - | - |