libGridXC¶
A library to compute the exchange and correlation energy and potential in spherical (i.e. atoms) or periodic systems.
homepage: https://gitlab.com/siesta-project/libraries/libgridxc
Available installations¶
| libGridXC version | Supported CPU targets | Supported GPU targets | EESSI version | Module |
|---|---|---|---|---|
| 2.0.2 | generic: aarch64, x86_64Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/graceAMD: zen2, zen3, zen4Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake |
(none) | 2023.06 | libGridXC/2.0.2-gompi-2023a |