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178
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2,738
Closed
455
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Updated date
ENH: add version number to Vasp calculator and vasp hessian paraser
!165
· created
Apr 18, 2016
by
Lukasz Mentel
Closed
12
updated
Sep 08, 2016
transparency for pov ray renderer
!114
· created
Feb 03, 2016
by
Simon P. Rittmeyer
Closed
12
updated
Aug 31, 2016
Castep bug fix
!238
· created
Aug 12, 2016
by
Simon P. Rittmeyer
Closed
7
updated
Aug 16, 2016
ENH: Catch nested instances of `parallel_function`
!228
· created
Jul 27, 2016
by
Morten Nagel
Closed
updated
Aug 16, 2016
ENH: Catch trajectory attribute error
!230
· created
Jul 27, 2016
by
Morten Nagel
Closed
1
updated
Aug 16, 2016
ENH: Split mpi4py world
!229
· created
Jul 27, 2016
by
Morten Nagel
Closed
1
updated
Aug 16, 2016
ENH: rename ase/io/pdb -> proteindatabank to stop name clash with python debugger (pdb)
!227
· created
Jul 27, 2016
by
Morten Nagel
Closed
2
updated
Aug 16, 2016
ENH: Added an additional (optional) downhill check based on energies
!123
· created
Feb 18, 2016
by
Lars Pastewka
Closed
11
updated
Aug 14, 2016
initial autoneb method
!144
· created
Mar 11, 2016
by
Esben Leonhard Kolsbjerg
Closed
10
updated
Aug 12, 2016
ENH: Small changes to ase/io/trajectory.py and ase/parallel.py + renaming ase/io/pdb.py
!225
· created
Jul 21, 2016
by
Morten Nagel
Closed
2
updated
Jul 27, 2016
WIP: Eval is evil
!171
· created
Apr 28, 2016
by
Ask Hjorth Larsen
Closed
8
updated
Jul 08, 2016
ENH: Update neb.py to improve the idpp implementation's speed and flexibility.
!199
· created
Jun 09, 2016
by
Tristan Maxson
Closed
3
updated
Jun 23, 2016
ENH: better atoms.copy()
!183
· created
May 17, 2016
by
Christopher J. Wright
Closed
4
updated
Jun 22, 2016
General supercell creation
!204
· created
Jun 14, 2016
by
Paul Erhart
Closed
updated
Jun 15, 2016
Update read_vasp_xml:
!189
· created
May 29, 2016
by
Jacob Boes
Closed
4
updated
Jun 14, 2016
Testing testing...
!196
· created
Jun 09, 2016
by
Lauri Lehtovaara
Closed
1
updated
Jun 09, 2016
ENH: atoms.stack
!157
· created
Mar 27, 2016
by
Tristan Maxson
Closed
4
updated
May 25, 2016
ENH: Read gpaw-output also for multiple k-points. Test included.
!96
· created
Dec 16, 2015
by
Michael Walter
Closed
6
updated
Apr 13, 2016
ENH: If canceled vibration calculation is restarted, recalculate empty file
!149
· created
Mar 18, 2016
by
Oliver Brügner
Closed
6
updated
Apr 01, 2016
Updated neb
!142
· created
Mar 10, 2016
by
Esben Leonhard Kolsbjerg
Closed
4
updated
Mar 18, 2016
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