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occ
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#include <Eigen/Geometry>#include <occ/core/atom.h>#include <occ/core/linear_algebra.h>#include <vector>Classes | |
| struct | occ::xtb::LatticeImage |
| struct | occ::xtb::PeriodicSystem |
Namespaces | |
| namespace | occ |
| namespace | occ::crystal |
| functionality related to periodic crystal structures, space groups, symmetry operations | |
| namespace | occ::xtb |
Functions | |
| std::vector< LatticeImage > | occ::xtb::build_lattice_images (const Mat3 &lattice_bohr, double cutoff_bohr) |