PySCF¶
PySCF is an open-source collection of electronic structure modules powered by Python.
homepage: http://www.pyscf.org
| version | versionsuffix | toolchain |
|---|---|---|
1.6.3 |
-Python-3.7.2 |
foss/2019a |
1.7.6 |
foss/2020b |
|
1.7.6 |
foss/2021a |
|
1.7.6 |
gomkl/2021a |
|
2.1.1 |
foss/2022a |
|
2.4.0 |
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)