PyCheMPS2¶
PyCheMPS2 is a python interface to CheMPS2, for compilation without MPI. 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://sebwouters.github.io/CheMPS2
| version | toolchain |
|---|---|
1.8.12 |
foss/2022a |
1.8.12 |
foss/2022b |
(quick links: (all) - 0 - a - b - c - d - e - f - g - h - i - j - k - l - m - n - o - p - q - r - s - t - u - v - w - x - y - z)