#
unitcell
Here are 4 public repositories matching this topic...
best way to fit a molecular structure in unit cell for first run on Quantum Espresso
-
Updated
Sep 19, 2022 - Java
C++ library that helps retrieve a finite domain from the periodic atomic structure (motif) or the underlying periodic structure (lattice) of a crystal
windows computer-science unix cmake chemistry cpp graph-algorithms cheminformatics graphs linear-algebra motif crystallography applied-mathematics lattice 3d-models vector-math unitcell cartesian-coordinates linear-combinations reduction-algorithm
-
Updated
Aug 1, 2026 - C++
Add this topic to your repo
To associate your repository with the unitcell topic, visit your repo's landing page and select "manage topics."