Babel package
version: 11.3 (September 2025)
Programs:
- babel:
creates line defects and calculate elastic energy
- displacement:
calculates displacement, strain, Nye tensor on each atom
or differential displacements between atoms
by comparing an input and a reference structure
- patternInit and patternDetect:
defines reference crystallographic patterns in order to calculate then Nye tensors
with program displacement
- prepareDrag:
interpolates between an initial and a final configuration
and build constraint file so as to to run then constrained minimization (drag)
- displacementFit (not documented yet):
determines the dislocation properties (positions and Burgers vectors)
by a least-square fitting of the displacement field extracted from atomic simulations
with program displacement
- vitekFit (not documented yet):
determines the dislocation properties, positions and Burgers vectors,
by a least-square fitting of the Vitek map, i.e differential displacements
extracted from atomic simulations with program displacement
Structure files:
description
Download:
version 11.3
History of changes
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