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gpaw
gpaw
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102
Merged
2,011
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Created date
use qpd.optical_limit instead of qpd.kd.gamma solving rounding bug
!2295
· created
May 13, 2024
by
Ask Hjorth Larsen
Response
Sprint
in progress
Merged
4
updated
May 14, 2024
Skip eshift for RPA - not implemented
!2294
· created
May 13, 2024
by
Jens Jørgen Mortensen
Response
Sprint
in progress
Merged
3
updated
May 14, 2024
Order optimal orbitals after sic calculation
!2293
· created
May 13, 2024
by
Gianluca Levi
Merged
4
updated
May 16, 2024
Remove PBC error in plane wave mode / dipole.
!2292
· created
May 08, 2024
by
Andrew Peterson
Closed
4
updated
May 15, 2024
Update Niflheim venv script for el8
!2291
· created
May 08, 2024
by
Jens Jørgen Mortensen
Merged
updated
May 08, 2024
Clean up mathematical redundancies in the Chi0DysonEquation
!2290
· created
May 08, 2024
by
Thorbjørn Skovhus
Response
Sprint
in progress
Merged
2
updated
May 14, 2024
DOC: Better message for users who don't register setups.
!2289
· created
May 07, 2024
by
Andrew Peterson
Merged
1
updated
May 08, 2024
DRAFT: BUGFIX: Remove error message with PBC + planewave + dipole.
!2288
· created
May 07, 2024
by
Andrew Peterson
Closed
3
updated
May 08, 2024
Introduce df descriptors
!2287
· created
May 07, 2024
by
Thorbjørn Skovhus
Response
Closed
3
updated
May 14, 2024
Clean up dielectric matrix data
!2286
· created
May 07, 2024
by
Thorbjørn Skovhus
Response
Merged
1
updated
May 13, 2024
Test 2d dielectric function in agts
!2285
· created
May 07, 2024
by
Thorbjørn Skovhus
Response
Merged
1
updated
May 13, 2024
Minimal coupling between df and qeh
!2284
· created
May 07, 2024
by
Thorbjørn Skovhus
Response
Merged
6
Approved
updated
May 13, 2024
np.trapz -> scipy.integrate.trapezoid
!2283
· created
May 07, 2024
by
Jens Jørgen Mortensen
Merged
updated
May 07, 2024
Clean up inverse dielectric function
!2282
· created
May 06, 2024
by
Thorbjørn Skovhus
Response
Merged
13
Approved
updated
May 13, 2024
Test 2d polarizability
!2281
· created
May 03, 2024
by
Thorbjørn Skovhus
Response
Merged
12
Approved
updated
May 16, 2024
Response function dataclass
!2280
· created
May 01, 2024
by
Thorbjørn Skovhus
Response
Merged
1
updated
May 02, 2024
Sparse atomic corrections to new GPAW round 2: Parallel basis index fix
!2279
· created
May 01, 2024
by
Anubhab Haldar
Merged
5
updated
May 23, 2024
Draft: Add possibility to calculate one q-point at time (for multi job parallelization)
!2278
· created
Apr 30, 2024
by
Mikael Kuisma
updated
Apr 30, 2024
Move legacy result methods on legacy `DielectricFunction` object
!2277
· created
Apr 30, 2024
by
Thorbjørn Skovhus
Response
Sprint
in progress
Merged
1
updated
May 02, 2024
adding some more gpw file fixtures
!2276
· created
Apr 30, 2024
by
Tara Maria Boland
Maintenance
Merged
1
updated
May 01, 2024
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