QuEmb is an open-source tool for efficient quantum chemistry simulation of large molecules and solids (1D and 2D periodic systems) via bootstrap embedding technique.
In anticipation of the software paper write-up, we shall do a feature freeze and a release soon. This issue will collect the list of features that we advertise with the release. As a reminder, each feature must have an appropriate test.
ShaunWeatherly
commented
3 weeks ago
In anticipation of the software paper write-up, we shall do a feature freeze and a release soon. This issue will collect the list of features that we advertise with the release. As a reminder, each feature must have an appropriate test.