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Commits on Feb 21, 2018

• Change format specifier for kpoint paths

  aplowman

  committed
  41f7119

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• Fix ignore_missing_output bug

  aplowman

  committed
  a1d3449

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• Checking should not happen during init

  aplowman

  committed
  3c7816f

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• Skip sim dirs with no output files

  aplowman

  committed
  ad42aa1

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Commits on Feb 16, 2018

• Add castep_cell_modify_atom_species

  aplowman

  committed
  e1c4023

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Commits on Jan 30, 2018

• Fix bug in sigmoid function, when passed integer x data

  aplowman

  committed
  73af7ca

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• Add geom_force_tol, geom_disp_tol series

  aplowman

  committed
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Commits on Jan 26, 2018

• Fix complementary surface supercell and boundary vac series hack.

  aplowman

  committed
  dcb5457

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Commits on Jan 24, 2018

• Hacky support for allowing boundary vacuum series to be applied to imported Bicrystal

  aplowman

  committed
  45f8d84

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• Fix bugs in importing a Bicrystal object

  aplowman

  committed
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Commits on Jan 10, 2018

• Make generate_structure compatible with using atom_labels

  aplowman

  committed
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Commits on Jan 5, 2018

• Use renamed `snap_arr` function

  aplowman

  committed
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Commits on Dec 27, 2017

• Formatting, linting improvements

  aplowman

  committed
  c9d63e0

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• Remove use of atsim.vectors

  aplowman

  committed
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Commits on Dec 26, 2017

• Pass crystal index to apply_relative_shift

  aplowman

  committed
  ee7002b

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• Change option base_structure to structure

  aplowman

  committed
  39da79c

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• Reduce default plot size

  aplowman

  committed
  507b185

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• Add BulkCrystal overlap_tol, fix bug in volume property

  aplowman

  committed
  545cd4a

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• Add structure lookup for mon_bicrystal_180_u0w

  aplowman

  committed
  1ef2dc0

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• Remove unused import

  aplowman

  committed
  c9e1ae6

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• Change option file names

  aplowman

  committed
  f6e11bb

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• Add TODO to setup

  aplowman

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• Add .vscode to .gitignore

  aplowman

  committed
  c7036b7

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• Merge branch 'simplify_species'

  aplowman

  committed
  3f5666f

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• Add newline

  aplowman

  committed
  7380538

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• Add conda environment file

  aplowman

  committed
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• Remove print, bokeh

  aplowman

  committed
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Commits on Dec 4, 2017

• Merge branch 'simplify_species' of https://github.com/APlowman/atomistic-simulation into simplify_species

  

  maria-yankova

  committed
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• Python formatting

  

  maria-yankova

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Commits on Dec 3, 2017

• Formatting

  aplowman

  committed
  4b51919

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• Remove final column delimiter from format_arr

  aplowman

  committed
  5fd4bc0

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Commits on Dec 2, 2017

• Add a check that the supercell forms a right-handed coordinate system

  aplowman

  committed
  4dd4548

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• Improve comments

  aplowman

  committed
  3b09a3e

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• Modify bicrystal reorient method so the boundary plane ends up in the xy plane

  aplowman

  committed
  6d57d9a

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• Reorient Bicrystal to lammps after shift applied

  

  maria-yankova

  committed
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