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.
https://dftd3.readthedocs.io
Available modules¶
The overview below shows which Simple-DFTD3 installations are available per target architecture in EESSI, ordered based on software version (new to old).
To start using Simple-DFTD3, load one of these modules using a module load command like:
(This data was automatically generated on Fri, 06 Feb 2026 at 13:12:13 UTC)
| aarch64/generic | aarch64/a64fx | aarch64/neoverse_n1 | aarch64/neoverse_v1 | aarch64/nvidia/grace | x86_64/generic | x86_64/amd/zen2 | x86_64/amd/zen3 | x86_64/amd/zen4 | x86_64/intel/cascadelake | x86_64/intel/haswell | x86_64/intel/icelake | x86_64/intel/sapphirerapids | x86_64/intel/skylake_avx512 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Simple-DFTD3/1.2.1-gfbf-2023b | x | x | x | x | x | x | x | x | x | x | x | x | x | x |
| Simple-DFTD3/1.2.1-gfbf-2023a | x | x | x | x | x | x | x | x | x | x | x | x | x | x |