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gpaw
Merge requests
Open
102
Merged
2,013
Closed
202
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Updated date
Update to batteries1 for the summerschool
gpaw!392
· created
Jul 26, 2018
by
Steen Lysgaard
Closed
updated
Jul 26, 2018
WIP: PW-mode optimization
gpaw!373
· created
Jun 29, 2018
by
Jens Jørgen Mortensen
Closed
updated
Oct 12, 2018
WIP: GPAW iomkl build
gpaw!428
· created
Oct 03, 2018
by
Mikkel Strange
Closed
1
updated
Oct 12, 2018
WIP: Charged defect tutorial and code
gpaw!54
· created
Apr 27, 2016
by
Jens Jørgen Mortensen
Closed
updated
Nov 19, 2018
Constrained dft
gpaw!284
· created
Nov 23, 2017
by
Marko Melander
Closed
59
updated
Nov 21, 2018
Support for improved virtual orbitals in EXX and RSF
gpaw!395
· created
Jul 27, 2018
by
Rolf Würdemann
Closed
5
updated
Dec 04, 2018
Inclusion of lrTDDFT for long range range separated functionals (RSF) into gpaw using the Slater-function
gpaw!389
· created
Jul 18, 2018
by
Rolf Würdemann
Closed
17
updated
Dec 04, 2018
2nd order sigma stencil
gpaw!197
· created
Apr 07, 2017
by
Ask Hjorth Larsen
Closed
27
1
updated
Dec 13, 2018
Py37 hgh fix
gpaw!473
· created
Dec 17, 2018
by
Jens Jørgen Mortensen
Closed
updated
Dec 17, 2018
WIP: Spin orbit polarizability
gpaw!308
· created
Jan 04, 2018
by
Morten Gjerding
Closed
updated
Jan 18, 2019
Ehrenfestdoc fixes
gpaw!499
· created
Jan 24, 2019
by
Toma Susi
Closed
updated
Jan 24, 2019
Add 2D code for electrostatic corrections and update tutorial
gpaw!502
· created
Feb 04, 2019
by
Sten Haastrup
Closed
updated
Feb 04, 2019
BUG: Deleted function annotations in correct_occ_number to make it python2 compatible.
gpaw!517
· created
Mar 10, 2019
by
Georg Kastlunger
Closed
3
updated
Mar 10, 2019
MAINT: Fix more errors in cdft appearing in newer Numpy versions
gpaw!530
· created
Apr 04, 2019
by
Marko Melander
Closed
3
updated
Apr 12, 2019
Fast holonomic constraints for explicit solvent QMMM GPAW calculations.
3 of 3 checklist items completed
gpaw!313
· created
Jan 13, 2018
by
Mikael Kuisma
Closed
31
1
updated
Jun 14, 2019
WIP: Fix MPI initialization without custom interpreter
gpaw!403
· created
Aug 08, 2018
by
Gaël Donval
Closed
20
updated
Jun 19, 2019
WIP: Small angle cells
gpaw!553
· created
Jun 24, 2019
by
Jens Jørgen Mortensen
Closed
updated
Jun 27, 2019
WIP: Remove and test for invalid eacape sequences
gpaw!568
· created
Aug 08, 2019
by
Jens Jørgen Mortensen
Closed
updated
Aug 08, 2019
Update documentation to reflect new modules on Niflheim.
gpaw!571
· created
Aug 22, 2019
by
Jakob Schiøtz
Closed
1
updated
Aug 22, 2019
WIP: QEH2.0: Phonons, graphene and doped semi-conductors
gpaw!488
· created
Jan 11, 2019
by
Morten Gjerding
Closed
1
updated
Jan 06, 2020
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