GQCConstraints
This library build on GQCP provides easy to work with utilities in order to perform constrained quantum chemical calculations.
Installation
In a virtualenv (see these instructions if you need to create one):
pip3 install gqcconstraints
Releases
| Version | Released | Bullseye Python 3.9 |
Bookworm Python 3.11 |
Files |
|---|---|---|---|---|
| 1.1.1 | 2023-08-18 | |||
| 1.1.0 yanked | 2023-07-28 | |||
| 1.0.0 yanked | 2023-07-25 | |||
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