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unitcell
Here are 4 public repositories matching this topic...
C++ library that manages the atomic structure (motif) and the underlying periodic structure (lattice) of a crystal
windows computer-science unix cmake chemistry cpp graph-algorithms graphs linear-algebra motif crystallography applied-mathematics lattice 3d-models vector-math unitcell cartesian-coordinates linear-combinations vector-basis reduction-algorithm
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Jul 26, 2026 - C++
best way to fit a molecular structure in unit cell for first run on Quantum Espresso
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Updated
Sep 19, 2022 - Java
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