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Open
179
Merged
2,748
Closed
458
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Updated date
Ga singular
!1171
· created
May 03, 2019
by
David Kleiven
Closed
1
updated
May 03, 2019
WIP: [ENH] Full upgrade of phonons.py to make use of symmetries.
!752
· created
Feb 08, 2018
by
Emmanuel FARHI
Closed
11
updated
Apr 30, 2019
introduce AtomsInfo to store atoms.info dictionary
!1008
· created
Nov 05, 2018
by
Florian Knoop
Closed
6
updated
Apr 30, 2019
WIP: LAMMPS calculator refined
!1142
· created
Apr 08, 2019
by
Xin Chen
Closed
4
updated
Apr 26, 2019
WIP: Implement band structure functionality in CP2K
!330
· created
Nov 01, 2016
by
Eric Hermes
Closed
14
updated
Apr 17, 2019
ENH: added a read function for VASP's hessian
!259
· created
Sep 08, 2016
by
Lukasz Mentel
VASP
Closed
11
updated
Apr 17, 2019
WIP: Phonons write: Added write_as_json method to class Phonons
!427
· created
Feb 21, 2017
by
Thomas Holm Rod
Closed
6
updated
Apr 17, 2019
Symmetric surface
!362
· created
Nov 30, 2016
by
Peter Doak
Closed
8
updated
Apr 17, 2019
Module cogef
!1002
· created
Nov 02, 2018
by
Oliver Brügner
Closed
24
Approved
updated
Apr 12, 2019
WIP: Simple C-extension
!1102
· created
Feb 19, 2019
by
Jens Jørgen Mortensen
Closed
1
2
updated
Apr 10, 2019
WIP: OUTCAR reader spring cleaning & speed improvements.
!1129
· created
Mar 25, 2019
by
Alexander Tygesen
VASP
Closed
3
updated
Apr 09, 2019
WIP: Resolve "analyse_dimensionality() does not return namedtuple objects"
!1132
· created
Mar 27, 2019
by
Peter Larsen
Closed
2
updated
Mar 28, 2019
WIP: Resolve "Wrong dimension label in geometry.dimensionality"
!1134
· created
Mar 28, 2019
by
Peter Larsen
Closed
1
updated
Mar 28, 2019
Add KIM calculator
!1110
· created
Mar 03, 2019
by
Mingjian Wen
Closed
2
1
updated
Mar 15, 2019
Fix error message for wrong numpy version
!1100
· created
Feb 16, 2019
by
Leon
Closed
2
updated
Feb 18, 2019
Reduce CI runs
!1011
· created
Nov 05, 2018
by
ithod
Closed
13
1
updated
Feb 14, 2019
initialized amendment dict to None
!1089
· created
Feb 08, 2019
by
charles
Closed
updated
Feb 08, 2019
Small fix for reading Quantum Espresso output files.
!1079
· created
Jan 25, 2019
by
Kirsten T. Winther
Closed
4
updated
Jan 28, 2019
Fix: Read stresses from Aims output only when this is requested
!1031
· created
Nov 19, 2018
by
Florian Knoop
Closed
4
updated
Jan 16, 2019
WIP: VASP SCF (or NSW) convergence warning
!811
· created
Apr 25, 2018
by
Andrew Rosen
Closed
2
1
updated
Dec 22, 2018
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