Merge requests · gpaw / gpaw · GitLab

Draft: Ri hybrids

!1000 · created Jan 18, 2022 by Mikael Kuisma
- 0
updated Jan 18, 2022
Ehrenfest dynamics for LCAO

!995 · created Jan 12, 2022 by Vladimir Zobac
updated Jan 24, 2022
WIP: Calculation of Heisenberg exchange parameters with magnetic force theorem

!981 · created Dec 23, 2021 by Frederik Durhuus
updated Jan 05, 2022
BSE code ofr magnetic systems wit spin-orbit coupling

!973 · created Dec 03, 2021 by Thomas Olsen
- 19
updated Dec 03, 2021
Draft: Resolution of Identity Implementation with Projector Augmented Wave Method

!969 · created Nov 22, 2021 by Mikael Kuisma
- 1
updated Dec 14, 2021
Fixing downsampling problem

!967 · created Nov 18, 2021 by Mikael Kuisma
- 0
updated Nov 22, 2021
Draft: Fix f-f overlaps.

!965 · created Nov 18, 2021 by Mikael Kuisma
- 0
updated Nov 20, 2021
Draft: Add option to discard static external potential in time-propagation TDDFT

!964 · created Nov 15, 2021 by Tuomas Rossi
- 1
updated Nov 15, 2021
Draft: Resolution of identity hybrids to LCAO PAW mode (RI-LVL)

!962 · created Nov 11, 2021 by Mikael Kuisma
- 0
updated Nov 22, 2021
BUG: Fix custom UPF compensation charge

!959 · created Nov 03, 2021 by Juha
- 6
updated Dec 21, 2021
Draft: Electron-Phonon self energy 2 of 5 tasks completed

!956 · created Nov 01, 2021 by Robert Warmbier
updated Dec 01, 2021
extract code from rst and added to agts in Density of States exercise

!953 · created Oct 13, 2021 by Jiban Kangsabanik
- 1
updated Oct 13, 2021
ENH: Print the applied constraints in the positions table of the log

!944 · created Oct 07, 2021 by Georg Kastlunger
- 2
- 22
updated Oct 25, 2021
Draft: RI-JK-Hybrids for GPAW

!943 · created Oct 04, 2021 by Mikael Kuisma
- 1
- 1
updated Nov 18, 2021
FIX: Fix bug in polarization charges and iterate over them to arrive at the correct solution.

!939 · created Sep 27, 2021 by Michael Walter
- 1
- 0
updated Dec 02, 2021
Poisson solver with gaussian charges

!938 · created Sep 24, 2021 by Mejdeddine Mokhtar
- 1
- 4
updated Jan 13, 2022
Clarify testing documentation

!937 · created Sep 23, 2021 by Tuomas Rossi
- 2
updated Sep 23, 2021
Single unit error in comment fixed

!931 · created Sep 14, 2021 by Frederik Durhuus
- 0
updated Sep 14, 2021
Draft: Fix atomic distributions in GLLBSC

!924 · created Aug 31, 2021 by Tuomas Rossi
- 0
updated Aug 31, 2021
Draft: Test PBE implementations

!923 · created Aug 20, 2021 by Jens Jørgen Mortensen LibXC Sprint material
- 0
updated Sep 13, 2021

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