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Created date
WIP: ASCII plot functionality
!1647
· created
Jan 22, 2020
by
Ask Hjorth Larsen
5
2
updated
Feb 22, 2021
WIP: Alternative AtomsData class to replace Atoms.arrays
!1628
· created
Jan 10, 2020
by
Eric Hermes
3
updated
Jan 15, 2020
WIP: New AtomsData class to (partially) replace Atoms.arrays
!1626
· created
Jan 10, 2020
by
Eric Hermes
13
updated
Jan 17, 2020
ENH: introducing atom labels
!1617
· created
Jan 07, 2020
by
Yashasvi S. Ranawat
9
1
updated
Feb 15, 2020
ENH: custom atoms-arrays in database
!1615
· created
Jan 07, 2020
by
Yashasvi S. Ranawat
2
updated
Jan 22, 2020
WIP: Faster initialisation of populations in the GA
!1613
· created
Jan 07, 2020
by
Steen Lysgaard
1
updated
Mar 17, 2020
ENH/TST: Vasp line-mode reading
!1606
· created
Jan 05, 2020
by
Adam Jackson
VASP
30
updated
Jun 07, 2021
WIP: MAINT: `Dynamics`
!1590
· created
Dec 23, 2019
by
Florian Knoop
10
updated
Oct 18, 2023
ENH: todict and fromdict support calculator
!1572
· created
Dec 13, 2019
by
Yashasvi S. Ranawat
1
updated
Dec 17, 2019
WIP: Fix EOS plotting when no X11 is available
!1565
· created
Dec 09, 2019
by
Eric Hermes
2
updated
Dec 09, 2019
ENH: Sorting utilities
!1542
· created
Dec 01, 2019
by
David Ollodart
updated
Dec 01, 2019
Draft: ENH: atoms | add `get_fractional_coordinates()` that does just this
3 of 5 checklist items completed
!1537
· created
Nov 26, 2019
by
Florian Knoop
6
updated
Feb 01, 2024
Added basis set test for crystal and simple CrystalProfile in crystal calculator.
!1514
· created
Nov 21, 2019
by
Eike Caldeweyher
1
updated
Jan 02, 2020
WIP: Magic array
!1371
· created
Sep 15, 2019
by
Ask Hjorth Larsen
1
updated
Jul 08, 2020
WIP: ENH: Overhaul CRYSTAL writing use symmetry
!1356
· created
Sep 06, 2019
by
Adam Jackson
6
1
updated
Feb 06, 2020
Add properties to ase.Atoms and reorder methods
!1351
· created
Sep 05, 2019
by
Eisuke Kawashima
7
updated
Mar 12, 2021
Topology in ASE
!1321
· created
Aug 20, 2019
by
Yashasvi S. Ranawat
12
updated
Jan 09, 2020
WIP: BUG: for VASP, read vibrational frequencies, not energies
!1274
· created
Jul 16, 2019
by
Samuel Young
VASP
35
updated
Jan 05, 2022
Identify MP kpoint grids that have been folded into the 1BZ.
!1104
· created
Feb 20, 2019
by
Morten Gjerding
8
updated
Mar 12, 2021
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