dftd4¶
The dftd4 project provides an implementation of the generally applicable, charge dependent London-dispersion correction, termed DFT-D4.
homepage: https://dftd4.readthedocs.io
Available installations¶
| dftd4 version | Supported CPU targets | Supported GPU targets | EESSI version | Module |
|---|---|---|---|---|
| 3.7.0 | generic: aarch64, x86_64Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/graceAMD: zen2, zen3, zen4Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake |
(none) | 2023.06 | dftd4/3.7.0-gfbf-2023b |