chill_offload.hpp File Reference

CHILL+ labels: host classifyBonds or flattened OpenMP target. More...

#include <mol_sys.hpp>
#include <vector>

Go to the source code of this file.

Classes
struct	chill::ChillPlusResult

Namespaces
namespace	chill
	CHILL and CHILL+ structure classification.

Functions
bool	chill::preferOffload ()
ChillPlusResult	chill::hostChillPlus (molSys::PointCloud< molSys::Point< double >, double > &yCloud, const std::vector< std::vector< int > > &nList)
	Host CHILL+ (classifyBonds + getIceTypePlusNoPrint).
ChillPlusResult	chill::specializedChillPlus (molSys::PointCloud< molSys::Point< double >, double > &yCloud, const std::vector< std::vector< int > > &nList)
	Flattened CHILL+.
ChillPlusResult	chill::chillPlus (molSys::PointCloud< molSys::Point< double >, double > &yCloud, const std::vector< std::vector< int > > &nList)

Detailed Description

CHILL+ labels: host classifyBonds or flattened OpenMP target.

SEAMS_OFFLOAD=0 uses getCorrelPlus + getIceTypePlusNoPrint. Any other value uses the flattened four-nearest CHILL+ tables, on the OpenMP target when a device exists.

Definition in file chill_offload.hpp.