MRChem¶
MRChem is a numerical real-space code for molecular electronic structure calculations within the self-consistent field (SCF) approximations of quantum chemistry: Hartree-Fock and Density Functional Theory.
homepage: https://mrchem.readthedocs.io
| version | versionsuffix | toolchain |
|---|---|---|
1.0.0 |
-Python-3.8.2 |
foss/2020a |
1.1.1 |
foss/2022a |
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