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Updated date
DOC: Updating documentation for the new Siesta calculator.
!100
· created
Dec 19, 2015
by
Mads Engelund
Merged
updated
Jan 04, 2016
Castep
!98
· created
Dec 17, 2015
by
Simon P. Rittmeyer
Merged
updated
Dec 17, 2015
Get rid of all errors and warnings from PyFlakes
!97
· created
Dec 17, 2015
by
Jens Jørgen Mortensen
Merged
updated
Dec 17, 2015
ENH: Added a couple of population types to the GA
!95
· created
Dec 16, 2015
by
Steen Lysgaard
Merged
updated
Dec 17, 2015
[WIP]New siesta
!63
· created
Nov 03, 2015
by
Mads Engelund
Merged
15
updated
Dec 17, 2015
Feature/remove duplicates - Identify and handle duplicate atoms
!85
· created
Nov 17, 2015
by
Christoph Schober
Merged
11
updated
Dec 14, 2015
BUG: Importing from FHI-aims output
!94
· created
Dec 10, 2015
by
Adam Jackson
Merged
updated
Dec 11, 2015
BUG: Fix "Parents" bug in GA after the merge of db-integer-string branch
!93
· created
Dec 09, 2015
by
Steen Lysgaard
Merged
updated
Dec 09, 2015
DEP: Warned about future removal of raw score methods attached to the atoms object
!92
· created
Dec 04, 2015
by
Steen Lysgaard
Merged
2
updated
Dec 09, 2015
reading of atomic elements in espresso input-files adapted
!91
· created
Dec 04, 2015
by
NF Hinsche
Merged
updated
Dec 04, 2015
Fix for old psycopg2
!90
· created
Dec 03, 2015
by
Jens Jørgen Mortensen
Merged
updated
Dec 03, 2015
ENH: Rraman
!88
· created
Nov 18, 2015
by
Michael Walter
Merged
updated
Nov 19, 2015
Exclude emacs backup files
!87
· created
Nov 18, 2015
by
Michael Walter
Merged
updated
Nov 18, 2015
Castep interface
!86
· created
Nov 17, 2015
by
Simon P. Rittmeyer
Merged
updated
Nov 18, 2015
BUG: Bugfix in write_castep_cell()
!84
· created
Nov 16, 2015
by
Simon P. Rittmeyer
Merged
updated
Nov 17, 2015
Castep interface
!83
· created
Nov 16, 2015
by
Simon P. Rittmeyer
Merged
1
updated
Nov 16, 2015
BUG: Fixing two bugs of the wrap function and adding input shortcut.
!59
· created
Nov 02, 2015
by
Mads Engelund
Merged
updated
Nov 16, 2015
Parallel IO
!82
· created
Nov 13, 2015
by
Michael Walter
Merged
1
updated
Nov 16, 2015
Add options to bader IO
!66
· created
Nov 05, 2015
by
Brandon
Merged
4
updated
Nov 12, 2015
kpoints changes
!75
· created
Nov 09, 2015
by
Korina Kuhar
Merged
updated
Nov 12, 2015
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