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First public release. cellcheck reads the lattice parameters of a crystal structure and reports whether its unit cell satisfies the minimum-image convention for a given interaction cutoff, and if not, along which axis and by how much. What it does Computes true perpendicular widths (V / |a_j × a_k|), not edge lengths....
First public release. cellcheck reads the lattice parameters of a crystal structure and reports whether its unit cell satisfies the minimum-image convention for a given interaction cutoff, and if not, along which axis and by how much. What it does Computes true perpendicular widths (V / |a_j × a_k|), not edge lengths....
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