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Created date
More vibration options
!1716
· created
Feb 17, 2020
by
Michael Waters
14
updated
Mar 20, 2020
db: Don't read external tables if data is not read
!1741
· created
Feb 25, 2020
by
David Kleiven
Database
14
updated
Nov 02, 2022
Resolve "Missing documentation for BEEFEnsemble"
!1805
· created
Mar 26, 2020
by
Rune Christensen
7
updated
Feb 10, 2021
Make the ase db support data of type bytes
!1822
· created
Apr 04, 2020
by
Morten Gjerding
12
updated
Jun 08, 2020
Fix a clerical error in eam.py
!1840
· created
Apr 14, 2020
by
sakuraiiiii
9
updated
Sep 18, 2023
Reimplementation of Calculator GUI
!1862
· created
May 03, 2020
by
Leon
9
updated
Jul 28, 2020
ENH: Add graphene flake and layered assembly build
!1896
· created
May 28, 2020
by
Georgios Tritsaris
9
updated
Jul 03, 2020
Fix error with binary data column in postgres
!1909
· created
Jun 11, 2020
by
Kirsten T. Winther
10
updated
Jun 16, 2020
QMMM Tutorial
!1944
· created
Jul 20, 2020
by
Asmus Ougaard Dohn
33
updated
Sep 07, 2020
FHI-aims shared library run with mpi4py.
!1980
· created
Aug 03, 2020
by
logsdail
16
updated
Nov 11, 2020
Draft: CI: add code quality template
!1990
· created
Aug 06, 2020
by
Ask Hjorth Larsen
updated
Oct 11, 2020
Draft: docs on how to write good tests
!2000
· created
Aug 09, 2020
by
Ask Hjorth Larsen
1
WIP: fix nearest neighbors search
!2021
· created
Aug 20, 2020
by
Pietro F. Fontana
11
updated
Nov 03, 2021
Reflective NEB
1 of 2 checklist items completed
!2023
· created
Aug 27, 2020
by
Steen Lysgaard
19
updated
Jul 26, 2023
Fix read energy value inconsistency between read_vasp_out and read_vasp_xml
!2026
· created
Sep 02, 2020
by
marian-code
VASP
9
updated
Apr 25, 2022
WIP: Interactive handling of Turbomole's define
3 of 12 checklist items completed
!2075
· created
Sep 25, 2020
by
Shahriar Heidrich
5
1
updated
Apr 22, 2021
File IO calculators: parse shell commands into non-shell-commands
!2090
· created
Oct 02, 2020
by
Ask Hjorth Larsen
3
updated
Oct 05, 2020
Write magnetic moments to cif (technically mcif) file
!2096
· created
Oct 07, 2020
by
Noam Bernstein
22
updated
Oct 14, 2020
Add known space groups for unary compounds (taken from the PAULING FILE database)
!2222
· created
Dec 18, 2020
by
Evgeny Blokhin
11
updated
Feb 26, 2021
Draft: Magmoms object
!2225
· created
Dec 21, 2020
by
Ask Hjorth Larsen
3
updated
Nov 02, 2023
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