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chill_offload.hpp
Go to the documentation of this file.
1#ifndef SEAMS_CHILL_OFFLOAD_H_
2#define SEAMS_CHILL_OFFLOAD_H_
3
4#include <mol_sys.hpp>
5#include <vector>
6
14
15namespace chill {
16
18 std::vector<int> iceType;
19 bool usedDevice = false;
20};
21
22[[nodiscard]] bool preferOffload();
23
27 const std::vector<std::vector<int>> &nList);
28
32 const std::vector<std::vector<int>> &nList);
33
36 const std::vector<std::vector<int>> &nList);
37
38} // namespace chill
39
40#endif
The main molecular system handler.
CHILL and CHILL+ structure classification.
Definition bop.hpp:136
ChillPlusResult hostChillPlus(molSys::PointCloud< molSys::Point< double >, double > &yCloud, const std::vector< std::vector< int > > &nList)
Host CHILL+ (classifyBonds + getIceTypePlusNoPrint).
ChillPlusResult specializedChillPlus(molSys::PointCloud< molSys::Point< double >, double > &yCloud, const std::vector< std::vector< int > > &nList)
Flattened CHILL+.
bool preferOffload()
ChillPlusResult chillPlus(molSys::PointCloud< molSys::Point< double >, double > &yCloud, const std::vector< std::vector< int > > &nList)
std::vector< int > iceType
This contains a collection of points; contains information for a particular frame.
Definition mol_sys.hpp:173
This contains per-particle information.
Definition mol_sys.hpp:152