#include <state_extractor.hh>
Definition at line 37 of file state_extractor.hh.
◆ ExtractEnergy()
| static void ExtractEnergy |
( |
boost::shared_ptr< OpenMM::Context > |
context, |
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Real & |
energy |
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) |
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static |
◆ ExtractForces()
| static void ExtractForces |
( |
boost::shared_ptr< OpenMM::Context > |
context, |
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geom::Vec3List & |
forces |
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) |
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static |
◆ ExtractKineticEnergy()
| static void ExtractKineticEnergy |
( |
boost::shared_ptr< OpenMM::Context > |
context, |
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Real & |
energy |
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) |
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static |
◆ ExtractPositions()
| static void ExtractPositions |
( |
boost::shared_ptr< OpenMM::Context > |
context, |
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geom::Vec3List & |
positions, |
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bool |
enforce_periodic_box = false, |
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bool |
in_angstrom = true |
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) |
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static |
◆ ExtractPotentialEnergy()
| static void ExtractPotentialEnergy |
( |
boost::shared_ptr< OpenMM::Context > |
context, |
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Real & |
energy |
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) |
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static |
◆ ExtractVelocities()
| static void ExtractVelocities |
( |
boost::shared_ptr< OpenMM::Context > |
context, |
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geom::Vec3List & |
velocities |
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) |
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static |
The documentation for this class was generated from the following file:
