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gpaw
gpaw
Merge requests
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97
Merged
1,984
Closed
199
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Created date
ENH: Ignore build results, *.pyc and editor files.
!2
· created
Feb 17, 2016
by
Michael Walter
Closed
2
updated
Feb 17, 2016
Fixing AGTS script ...
!4
· created
Feb 17, 2016
by
Jens Jørgen Mortensen
Closed
updated
Feb 21, 2016
describe how to properly use ScaLAPACK with LCAO.
!13
· created
Feb 28, 2016
by
Ask Hjorth Larsen
Closed
updated
Feb 28, 2016
New branch: cDFT
!16
· created
Mar 09, 2016
by
Marko Melander
Closed
2
updated
Mar 31, 2016
ENH: Mail functionality of 'gpaw-runscript'
!26
· created
Mar 23, 2016
by
Krishnakanta Mondal
Closed
7
updated
Jun 17, 2016
ENH: Mail functionality of gpaw-runscript
!35
· created
Apr 04, 2016
by
Krishnakanta Mondal
Closed
1
updated
Apr 04, 2016
WIP: Charged defect tutorial and code
!54
· created
Apr 27, 2016
by
Jens Jørgen Mortensen
Closed
updated
Nov 19, 2018
Cdft2
!60
· created
May 04, 2016
by
Marko Melander
cdft2
Closed
1
updated
May 13, 2016
Fix jellium code to allow it to work with the dipole correction
!61
· created
May 11, 2016
by
Rasmus K
Closed
7
updated
Jun 17, 2016
ENH: Introduction of a new background_charge parameter in the GPAW calculator, new Jellium implementation
!62
· created
May 13, 2016
by
Rasmus K
Closed
40
updated
Jun 17, 2016
write message to log when important objects are None-d or replaced with other objects
!74
· created
Jun 10, 2016
by
Ask Hjorth Larsen
Closed
4
updated
Aug 13, 2016
clean up mixers
!75
· created
Jun 12, 2016
by
Ask Hjorth Larsen
Closed
2
updated
Jul 06, 2016
WIP: Refactor I/O code and use ase.calculators.calculator.Calculator base class
!83
· created
Jun 28, 2016
by
Jens Jørgen Mortensen
Closed
updated
Aug 11, 2016
Fix Issue #16
!84
· created
Jul 01, 2016
by
Tuomas Rossi
Closed
20
updated
Sep 12, 2016
ENH: Poisson solver q-point support
!85
· created
Jul 05, 2016
by
Mikael Kuisma
Closed
updated
May 30, 2023
BUG | fixed complex->real bug and new Pt sup
!89
· created
Aug 04, 2016
by
Mikkel Strange
Closed
2
updated
Aug 12, 2016
Constrained dft
!96
· created
Aug 16, 2016
by
Marko Melander
Closed
updated
Aug 16, 2016
Update libxc.py: Add SCAN as a recognized functional, uncomment TPSS and revTPSS
!99
· created
Aug 26, 2016
by
Rasmus K
Closed
5
updated
Nov 10, 2016
Fix/add writer in poisson solver.
!113
· created
Sep 28, 2016
by
Andrew Peterson
Closed
7
updated
Oct 06, 2016
PW dipole correction
!114
· created
Oct 06, 2016
by
Georg Kastlunger
Closed
7
updated
Nov 15, 2016
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