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double | type |
| | identifier for atom type
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bool | isResident |
| | Marker to identify if the atom is moving out of the system after the time step.
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double | x |
| | position in x axis
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double | y |
| | position in y axis
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double | z |
| | position in y axis
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double | ax |
| | acceleration on x axis
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double | ay |
| | acceleration on y axis
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double | az |
| | acceleration on y axis
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double | vx |
| | velocity on x axis
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double | vy |
| | velocity on y axis
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double | vz |
| | velocity on y axis
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std::array< int, 6 > | shiftCount |
| | Track the cells that the atom has moved.
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◆ Atom()
Default constructor.
This class is responsible for updating the state of an atom through the time-steps in stimulation
The documentation for this class was generated from the following files:
- MD_Engine/pmd.hpp
- MD_Engine/pmd.cpp