CheMPS2¶
CheMPS2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry.
homepage: https://github.com/SebWouters/CheMPS2
Available installations¶
| CheMPS2 version | Supported CPU targets | Supported GPU targets | EESSI version | Module |
|---|---|---|---|---|
| 1.8.12 | generic: aarch64, x86_64Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/graceAMD: zen2, zen3, zen4, zen5Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake |
(none) | 2025.06 | CheMPS2/1.8.12-foss-2025a |