Merge requests · ase / ase · GitLab

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BUG: Fix "Parents" bug in GA after the merge of db-integer-string branch

!93 · created Dec 09, 2015 by username-removed-256065 master
- MERGED
- 0
updated Dec 09, 2015
BUG: Importing from FHI-aims output

!94 · created Dec 10, 2015 by username-removed-282459 master
- MERGED
- 0
updated Dec 11, 2015
ENH: Added a couple of population types to the GA

!95 · created Dec 16, 2015 by username-removed-256065 master
- MERGED
- 0
updated Dec 17, 2015
Get rid of all errors and warnings from PyFlakes

!97 · created Dec 17, 2015 by username-removed-71423 master
- MERGED
- 0
updated Dec 17, 2015
Castep

!98 · created Dec 17, 2015 by username-removed-253735 master
- MERGED
- 0
updated Dec 17, 2015
BUG: pyflakes-warnings, fixed undefined in io/aims.py

!99 · created Dec 17, 2015 by username-removed-268789 master
- MERGED
- 0
updated Nov 13, 2016
DOC: Updating documentation for the new Siesta calculator.

!100 · created Dec 19, 2015 by username-removed-278992 master
- MERGED
- 0
updated Jan 04, 2016
Thermochemistry

!101 · created Jan 07, 2016 by username-removed-270697 master
- MERGED
- 0
updated Jan 11, 2016
Get rid of all warnings from pyflakes

!102 · created Jan 11, 2016 by username-removed-71423 master
- MERGED
- 0
updated Jan 12, 2016
Expand tilde in filenames

!103 · created Jan 12, 2016 by username-removed-71423 master
- MERGED
- 0
updated Jan 13, 2016
Remove vtk stuff.

!104 · created Jan 13, 2016 by username-removed-71423 master
- MERGED
- 0
updated Nov 13, 2016
Mopac update

!105 · created Jan 19, 2016 by username-removed-71423 master
- MERGED
- 0
updated Jan 19, 2016
New siesta

!106 · created Jan 19, 2016 by username-removed-278992 master
- MERGED
- 0
updated Jan 20, 2016
GitLab's CI will now run pyflakes on the code

!107 · created Jan 20, 2016 by username-removed-71423 master
- MERGED
- 0
updated Jan 20, 2016
fix a bug in general_surface for 1 ML slab and for superposition problem in N+1 …

!108 · created Jan 21, 2016 by username-removed-372836 master
- MERGED
- 0
updated Jan 21, 2016
Fix problematic division operations that would cause problem with Python 3

!109 · created Jan 22, 2016 by username-removed-71423 master
- MERGED
- 0
updated Nov 13, 2016
BUG: Bugfix in castep calculator read() and merge_param() routine

!110 · created Jan 29, 2016 by username-removed-253735 master
- MERGED
- 4
updated Jan 29, 2016
MAINT: Made castep's shell_stdouterr() functionality python3-safe

!111 · created Jan 29, 2016 by username-removed-253735 master
- MERGED
- 0
updated Feb 09, 2016
add vasp read_vib_freq function

!112 · created Jan 29, 2016 by username-removed-372836 master
- MERGED
- 0
updated Feb 09, 2016
vasp calculator: small fix for xdat2traj to map forces correctly to atoms

!113 · created Feb 03, 2016 by username-removed-251234 master
- MERGED
- 0
updated Feb 09, 2016

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