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chill_offload.hpp
Go to the documentation of this file.
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#ifndef SEAMS_CHILL_OFFLOAD_H_
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#define SEAMS_CHILL_OFFLOAD_H_
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#include <
mol_sys.hpp
>
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#include <vector>
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namespace
chill
{
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struct
ChillPlusResult
{
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std::vector<int>
iceType
;
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bool
usedDevice
=
false
;
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};
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[[nodiscard]]
bool
preferOffload
();
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[[nodiscard]]
ChillPlusResult
hostChillPlus
(
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molSys::PointCloud
<
molSys::Point<double>
,
double
> &yCloud,
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const
std::vector<std::vector<int>> &nList);
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[[nodiscard]]
ChillPlusResult
specializedChillPlus
(
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molSys::PointCloud
<
molSys::Point<double>
,
double
> &yCloud,
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const
std::vector<std::vector<int>> &nList);
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[[nodiscard]]
ChillPlusResult
chillPlus
(
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molSys::PointCloud
<
molSys::Point<double>
,
double
> &yCloud,
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const
std::vector<std::vector<int>> &nList);
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}
// namespace chill
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#endif
mol_sys.hpp
The main molecular system handler.
chill
CHILL and CHILL+ structure classification.
Definition
bop.hpp:136
chill::hostChillPlus
ChillPlusResult hostChillPlus(molSys::PointCloud< molSys::Point< double >, double > &yCloud, const std::vector< std::vector< int > > &nList)
Host CHILL+ (classifyBonds + getIceTypePlusNoPrint).
chill::specializedChillPlus
ChillPlusResult specializedChillPlus(molSys::PointCloud< molSys::Point< double >, double > &yCloud, const std::vector< std::vector< int > > &nList)
Flattened CHILL+.
chill::preferOffload
bool preferOffload()
chill::chillPlus
ChillPlusResult chillPlus(molSys::PointCloud< molSys::Point< double >, double > &yCloud, const std::vector< std::vector< int > > &nList)
chill::ChillPlusResult
Definition
chill_offload.hpp:17
chill::ChillPlusResult::usedDevice
bool usedDevice
Definition
chill_offload.hpp:19
chill::ChillPlusResult::iceType
std::vector< int > iceType
Definition
chill_offload.hpp:18
molSys::PointCloud
This contains a collection of points; contains information for a particular frame.
Definition
mol_sys.hpp:173
molSys::Point
This contains per-particle information.
Definition
mol_sys.hpp:152
src
include
internal
chill_offload.hpp
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