vesin.h File Reference

#include <cstddef>
#include <cstdint>

Classes
struct	PLMD::metatensor::vesin::VesinNeighborList
	The actual neighbor list. More...
struct	PLMD::metatensor::vesin::VesinOptions
	Options for a neighbor list calculation. More...

Namespaces
namespace	PLMD
namespace	PLMD::metatensor
namespace	PLMD::metatensor::vesin

Macros
#define	VESIN_API

Enumerations
enum	PLMD::metatensor::vesin::VesinDevice { PLMD::metatensor::vesin::VesinUnknownDevice = 0 , PLMD::metatensor::vesin::VesinCPU = 1 }
	Device on which the data can be. More...

Functions
void VESIN_API	PLMD::metatensor::vesin::vesin_free (struct VesinNeighborList *neighbors)
	Free all allocated memory inside a VesinNeighborList, according the it's device.
int VESIN_API	PLMD::metatensor::vesin::vesin_neighbors (const double(*points)[3], size_t n_points, const double box[3][3], bool periodic, VesinDevice device, struct VesinOptions options, struct VesinNeighborList *neighbors, const char **error_message)
	Compute a neighbor list.

Macro Definition Documentation

VESIN_API

#define VESIN_API