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bondgraph.h File Reference
#include <occ/core/graph.h>
Include dependency graph for bondgraph.h:
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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