occ
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#include <occ/core/graph.h>
Classes | |
struct | occ::core::graph::PeriodicEdge |
Class representing and holding data for a graph edge in 3D periodic boundary conditions. More... | |
struct | occ::core::graph::PeriodicVertex |
Class representing and holding data for a graph vertex in 3D periodic boundary conditions. More... | |
Namespaces | |
namespace | occ |
namespace | occ::core |
fundamental functionality for linear algebra, utilities, molecules and more | |
namespace | occ::core::graph |
Typedefs | |
using | occ::core::graph::PeriodicBondGraph = Graph< PeriodicVertex, PeriodicEdge > |
Functions | |
void | occ::core::set_bond_tolerance (float t) |
double | occ::core::get_bond_tolerance () |
Variables | |
double | occ::core::covalent_bond_tolerance = 0.4 |