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BUG: not able to choose own optimizer in neb idpp, now fixed

!81 · created Nov 11, 2015 by username-removed-256065 master
- Merged
- 0
updated Nov 12, 2015
Parallel IO

!82 · created Nov 13, 2015 by username-removed-255251 master
- Merged
- 1
updated Nov 16, 2015
Castep interface

!83 · created Nov 16, 2015 by username-removed-253735 master
- Merged
- 1
updated Nov 16, 2015
BUG: Bugfix in write_castep_cell()

!84 · created Nov 16, 2015 by username-removed-253735 master
- Merged
- 0
updated Nov 17, 2015
Feature/remove duplicates - Identify and handle duplicate atoms

!85 · created Nov 17, 2015 by username-removed-268789 master
- Merged
- 11
updated Dec 14, 2015
Castep interface

!86 · created Nov 17, 2015 by username-removed-253735 master
- Merged
- 0
updated Nov 18, 2015
Exclude emacs backup files

!87 · created Nov 18, 2015 by username-removed-255251 master
- Merged
- 0
updated Nov 18, 2015
ENH: Rraman

!88 · created Nov 18, 2015 by username-removed-255251 master
- Merged
- 0
updated Nov 19, 2015
ENH: Added an additional (optional) downhill check based on energies

!89 · created Nov 30, 2015 by username-removed-151986 master
- Closed
- 3
updated Feb 18, 2016
Fix for old psycopg2

!90 · created Dec 03, 2015 by username-removed-71423 master
- Merged
- 0
updated Dec 03, 2015
reading of atomic elements in espresso input-files adapted

!91 · created Dec 04, 2015 by username-removed-291783 master
- Merged
- 0
updated Dec 04, 2015
DEP: Warned about future removal of raw score methods attached to the atoms object

!92 · created Dec 04, 2015 by username-removed-256065 master
- Merged
- 2
updated Dec 09, 2015
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
ENH: Read gpaw-output also for multiple k-points. Test included.

!96 · created Dec 16, 2015 by username-removed-255251 master
- Closed
- 6
updated Apr 13, 2016
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

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