occ
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periodic.h File Reference
#include <Eigen/Geometry>
#include <occ/core/atom.h>
#include <occ/core/linear_algebra.h>
#include <vector>
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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)