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gpaw
gpaw
Merge requests
Open
103
Merged
2,006
Closed
202
All
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Created date
Added restart to fixed occupation calculations
!254
· created
Aug 29, 2017
by
reyhaneh
Closed
8
updated
Apr 12, 2018
WIP: New "gpaw archive" command
!255
· created
Sep 01, 2017
by
Jens Jørgen Mortensen
Closed
updated
Aug 19, 2020
WIP: Second-order imaginary part to the dielectric function
!256
· created
Sep 04, 2017
by
Henrik Weyer
Response
Closed
5
updated
Oct 03, 2023
efield for pw
!257
· created
Sep 05, 2017
by
ithod
Closed
1
updated
Dec 05, 2017
WIP: Make calculations exit cleanly before the given wall time limit is reached
!278
· created
Nov 14, 2017
by
Tuomas Rossi
Closed
7
updated
Feb 08, 2018
Constrained dft
!284
· created
Nov 23, 2017
by
Marko Melander
Closed
59
updated
Nov 21, 2018
WIP: Change rounding in h2gpts
!290
· created
Nov 30, 2017
by
Tristan Maxson
Closed
updated
Aug 17, 2020
Introduce GPW_FILE_VERSION integer
!301
· created
Dec 13, 2017
by
Jens Jørgen Mortensen
Closed
4
updated
Oct 03, 2023
WIP: Wannier integrals
!306
· created
Jan 03, 2018
by
Sten Haastrup
Closed
6
updated
Jan 17, 2021
WIP: Spin orbit polarizability
!308
· created
Jan 04, 2018
by
Morten Gjerding
Closed
updated
Jan 18, 2019
STM/STS documentation
!309
· created
Jan 04, 2018
by
Toma Susi
Closed
2
updated
Jan 05, 2018
WIP: Grid arrays
!311
· created
Jan 08, 2018
by
Ask Hjorth Larsen
Closed
1
updated
Oct 03, 2023
Fast holonomic constraints for explicit solvent QMMM GPAW calculations.
3 of 3 checklist items completed
!313
· created
Jan 13, 2018
by
Mikael Kuisma
Closed
31
1
updated
Jun 14, 2019
WIP: Change handling of non-periodic directions.
!334
· created
Mar 19, 2018
by
Morten Gjerding
Closed
3
updated
Jan 07, 2020
WIP: Added new arguments for controlling the handling of aperiodic directions
!335
· created
Mar 19, 2018
by
Morten Gjerding
Closed
updated
Mar 19, 2018
fix race condition
!339
· created
Apr 10, 2018
by
Ask Hjorth Larsen
Closed
3
updated
Apr 10, 2018
WIP: Documentation for the CAMD Summer School 2018
!359
· created
May 25, 2018
by
Jakob Schiøtz
Closed
10
updated
Jun 04, 2018
ENH: avoid nan and inf in Voigt distribution
!360
· created
May 28, 2018
by
Michael Walter
Closed
updated
May 28, 2018
ENH: Avoid nan and inf in Voigt
!361
· created
May 28, 2018
by
Michael Walter
Closed
4
updated
Aug 19, 2020
WIP: Use setuptools
!362
· created
May 30, 2018
by
Jens Jørgen Mortensen
Closed
10
updated
Aug 19, 2020
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