viperleed.calc.files.displacements
Functions for reading and interpreting the DISPLACEMENTS file.
Functions
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Reads the DISPLACEMENTS file to rp.disp_blocks without interpreting it. |
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Reads a block from the DISPLACEMENTS file and adds the information to all atoms in the slab. |
Exceptions
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Base exception for DISPLACEMENTS-related errors. |
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No valid displacements were found in DISPLACEMENTS. |