#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... | |
#define VESIN_API |
Hosted by GitHub | 1.8.17 |