Trajectory¶
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A Trajectory is made of a series of Frames. |
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A frame records the positions and unit cell (and optionally velocities, charges, current step and current time) of the system at one specific time step. |
Trajectory handler¶
Handlers for reading/writing different trajectory formats by Trajectory.
They are not meant to be called directly.
However, you can pass a handler class when initializing a Trajectory object.
Base class of trajectory handlers for various trajectory formats. |
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Read and write step, cell and positions from/to DCD file. |
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Read and write cell, atomic positions and optionally velocities from/to GRO file. |
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Read step, cell and atomic positions (and charges if provided) from dump file of Lammps. |
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Read and write step, cell and positions from XTC file. |
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Read and write positions from XYZ file. |
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Read several trajectory files at the same time. |