Merge requests · ase / ase · GitLab

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Castep

!61 · created Nov 03, 2015 by username-removed-253735 master
- CLOSED
- 13
updated Nov 16, 2015
Make extended XYZ the default output format for .xyz files

!62 · created Nov 03, 2015 by username-removed-131198 master
- MERGED
- 5
updated Mar 10, 2016
[WIP]New siesta

!63 · created Nov 03, 2015 by username-removed-278992 master
- MERGED
- 15
updated Dec 17, 2015
DOC: Made the genetic algorithm tutorial a little clearer.

!64 · created Nov 03, 2015 by username-removed-256065 master
- MERGED
- 0
updated Nov 03, 2015
DOC: Added documentation string for get_constraint_force

!65 · created Nov 04, 2015 by username-removed-151986 master
- MERGED
- 0
updated Nov 04, 2015
Add options to bader IO

!66 · created Nov 05, 2015 by username-removed-299670 master
- MERGED
- 4
updated Nov 12, 2015
Don't skiphalf of the file formats if Scientific is missing - just skip etsf

!67 · created Nov 06, 2015 by username-removed-71423 master
- MERGED
- 0
updated Nov 13, 2016
Simplify test output

!68 · created Nov 06, 2015 by username-removed-71423 master
- MERGED
- 0
updated Nov 13, 2016
Add links from Kenneth's talk

!69 · created Nov 06, 2015 by username-removed-71423 master
- MERGED
- 0
updated Nov 13, 2016
ENH: Rank fitness population added to GA

!70 · created Nov 06, 2015 by username-removed-256065 master
- CLOSED
- 6
updated Dec 11, 2015
Fix errors in BundleTrajectory relating to large-scale MD.

!71 · created Nov 08, 2015 by username-removed-265766 master
- MERGED
- 0
updated Nov 09, 2015
Update/clarify contributing.rst

!72 · created Nov 09, 2015 by username-removed-164158 master
- MERGED
- 0
updated Nov 09, 2015
Bug fix: contraints.Filter must support same keyword args as Atoms.

!73 · created Nov 09, 2015 by username-removed-265766 master
- MERGED
- 0
updated Nov 09, 2015
BUG: Fix ase.db strings interpreted as integers or floats

!74 · created Nov 09, 2015 by username-removed-256065 master
- MERGED
- 0
updated Nov 12, 2015
kpoints changes

!75 · created Nov 09, 2015 by username-removed-289445 master
- MERGED
- 0
updated Nov 12, 2015
Make bundletrajectory work in Python 3, and enable the test.

!76 · created Nov 09, 2015 by username-removed-265766 master
- MERGED
- 0
updated Nov 09, 2015
ENH: add build interface to manip. atoms tutorial

!77 · created Nov 09, 2015 by username-removed-256176 master
- MERGED
- 0
updated Nov 10, 2015
ase-gui read .poscar

!78 · created Nov 09, 2015 by username-removed-289445 master
- MERGED
- 0
updated Nov 09, 2015
Raise on all ranks in parallel

!79 · created Nov 09, 2015 by username-removed-71423 master
- MERGED
- 0
updated Nov 09, 2015
BUG: Writing png files now works with matplotlib v.1.5.0

!80 · created Nov 10, 2015 by username-removed-256065 master
- MERGED
- 0
updated Nov 10, 2015

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