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WIP: Adaptive continuation improvements #162
Commits on Feb 24, 2021
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Commits on Jul 7, 2022
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Commits on Mar 22, 2023
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Commits on Mar 29, 2023
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Commits on Apr 11, 2023
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Commits on Apr 14, 2023
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Commits on Jun 2, 2023
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Included options to extend region I or remove the surface from region II/III
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WIP: Integrated Cauchy-Born object into fracture simulation
Also added option to mask atoms that one does want to apply a large strain to
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Commits on Jun 5, 2023
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Commits on Jun 7, 2023
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Commits on Jul 5, 2023
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WIP: Surface reconstruction mapper and predictor
Added a surface reconstruction tool that can map and apply surface reconstructions in simple and multilattices
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WIP: Added additional helper functions to crack.py
Function include plotting strain error and correcting for f_alpha errors
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Commits on Jul 6, 2023
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Merge pull request #163 from Fraser-Birks/adaptivecont-fork
WIP: Bring adaptive-cont up-to-date with master and add Cauchy-Born shift and Surface Reconstruction code
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Commits on Jul 7, 2023
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Commits on Jul 12, 2023
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Commits on Jul 13, 2023
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Merge branch 'adaptivecont' of https://github.com/libAtoms/matscipy i…
…nto adaptivecont
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WIP: Seperated F and E evaluation into two seperate functions
Also added functionality to supply E functions with multiple coordinate systems
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Merge branch 'adaptivecont' of https://github.com/libAtoms/matscipy i…
…nto adaptivecont
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Merge branch 'master' into adaptivecont
Fixed neighbour list unit tests
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Commits on Jul 17, 2023
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BUG: Fixed bug where stretched unitcell was the transpose of what it
should have been
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Commits on Jul 18, 2023
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Commits on Aug 15, 2023
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