Branches

• cp2k_bandstructure

  7277cbce · Implement bare minimum for band structure calculation · Nov 01, 2016
  !330
• hide-search

  31540d40 · first commit · Dec 07, 2016
  !373
• fix_wannier

  68e1d24b · Fix writing Wannier functions to file · Dec 15, 2016
  !382
• more_robust_spacegroup

  cae9b891 · Removed unnessesary float convertions · Jan 12, 2017
• phonon_write

  ec9185dc · Filename should be first argument · Feb 22, 2017
  !427
• cp2k_bandstructure2

  c87a5733 · fix pyflakes · Mar 07, 2017
• mag

  72b53bba · Documentation and fix initial_magmom. · Apr 05, 2017
  !464
• ase-dlpoly

  53638ece · minor formatting changes. Formatting/text of docstrings · Apr 12, 2017
  !477
• ase_09_05_with_TOFU

  261a5bae · added TOFU+TS to ase · May 09, 2017
• fix-amber-test

  f8306578 · write required pdb file. Fixes: #102 · Jun 09, 2017
  !529
• stringbuilder

  86d15e2d · use StringBuilder for GULP input files · Jul 02, 2017
  !565
• new-atom-class

  a04476c9 · equality check for Atom objects. Fixes: #23 · Jul 14, 2017
  !580
• hex60

  9a4c2f94 · PEP8 · Aug 07, 2017
  !589
• ase-readtest

  412ad740 · Reduce number of checked file formats. · Oct 06, 2017
  !628
• detach-guis

  5289583c · Fix reciprocal. · Oct 09, 2017
  !632
• detach-windows

  362a68c7 · Use Popen. · Oct 14, 2017
  !640
• fix-special-point-determination

  cbf75b68 · Don't do niggli reduce since it can mess up monoclinic structures with sharp angles · Dec 13, 2017
  !690
• requirements-update

  a26ff5cb · Update requirements · Jan 23, 2018
  !718
• ase-bin-manifest

  015a9f3b · add scripts in bin to manifest; they will be included in source distribution... · Jan 24, 2018
  !722
• read-atoms-from-stdin

  40e3d241 · ase gui works on - for stdin; it can only read traj/ulm though · Jan 25, 2018
  !729