libvdwxc¶
libvdwxc is a general library for evaluating energy and potential for exchange-correlation (XC) functionals from the vdW-DF family that can be used with various of density functional theory (DFT) codes.
homepage: https://libvdwxc.materialsmodeling.org/
Available installations¶
| libvdwxc version | Supported CPU targets | Supported GPU targets | EESSI version | Module |
|---|---|---|---|---|
| 0.5.0 | generic: aarch64, x86_64Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/graceAMD: zen2, zen3, zen4, zen5Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake |
(none) | 2025.06 | libvdwxc/0.5.0-foss-2025a |