Classes | Namespaces | Macros | Enumerations | Functions
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

 PLMD
 
 PLMD::metatensor
 
 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. More...
 
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. More...
 

Macro Definition Documentation

◆ VESIN_API

#define VESIN_API