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Created date
Drop symmetry operations reading from Castep calculator
!2856
· created
Mar 22, 2023
by
Adam Jackson
CASTEP
Merged
1
updated
Oct 25, 2023
BUG: Update Castep keywords warning message
!2850
· created
Mar 20, 2023
by
Adam Jackson
CASTEP
Merged
3
1
updated
Mar 31, 2023
Draft: Generic calculator for castep
!2848
· created
Mar 20, 2023
by
Ask Hjorth Larsen
CASTEP
Hackathon
8
updated
May 05, 2023
ENH: Improve compatibility for magres files with a large number of atoms
!2836
· created
Feb 09, 2023
by
Carlos Bornes
CASTEP
Merged
4
2
Approved
updated
Sep 21, 2023
Recognise .castep files from Materials Studio
!2822
· created
Jan 05, 2023
by
Adam Jackson
CASTEP
Easy
Merged
2
updated
Apr 22, 2023
MAINT: Tidy up new CASTEP mass handling
!2722
· created
Jul 05, 2022
by
Adam Jackson
CASTEP
Easy
updated
Jul 08, 2022
BUG: Made CASTEP calculator more tolerant to some .castep files
!2567
· created
Nov 17, 2021
by
Simone Sturniolo
CASTEP
Merged
15
updated
Dec 03, 2021
Castep io write velocities into .cell file
!2562
· created
Nov 16, 2021
by
Tamas K. Stenczel
CASTEP
10
updated
Dec 06, 2021
ENH: Updated read_castep_geom to also read in the stress.
!2539
· created
Oct 15, 2021
by
Vlad Cărare
CASTEP
3
updated
Dec 02, 2021
BUG: CASTEP calculator would give trouble when a product/intermediate block without units was used
!2508
· created
Sep 10, 2021
by
Simone Sturniolo
CASTEP
Merged
3
updated
Sep 16, 2021
Fixed a bug when setting product blocks for castep TSS calculations
!2319
· created
Mar 09, 2021
by
Simone Sturniolo
CASTEP
Merged
21
updated
May 21, 2021
ENH: Made the CASTEP file reading more tolerant to a missing .bands file
!1525
· created
Nov 25, 2019
by
Simone Sturniolo
CASTEP
Merged
7
1
updated
Nov 25, 2019
WIP: ENH: CastepProfile
!1520
· created
Nov 22, 2019
by
Adam Jackson
CASTEP
Closed
2
updated
Oct 23, 2023
BUGFIX: change CASTEP output file 'regular end' for Mac compatibility
!1395
· created
Oct 02, 2019
by
Adam Jackson
CASTEP
Merged
1
updated
Oct 02, 2019
ENH: Add susceptibility tensor reading and writing to Magres I/O
!1391
· created
Sep 27, 2019
by
Simone Sturniolo
CASTEP
Merged
16
updated
Sep 30, 2019
ENH: enhancing kpts2sizeandoffsets + Castep kpts, bandpath arguments
!1259
· created
Jul 03, 2019
by
Adam Jackson
CASTEP
Merged
21
updated
Jul 16, 2019
BUGFIX: Conflicting Castep parameters v2
!1258
· created
Jul 03, 2019
by
Simone Sturniolo
CASTEP
Merged
4
updated
Jul 04, 2019
BUGFIX: Conflicting Castep parameters
!1257
· created
Jul 02, 2019
by
Adam Jackson
CASTEP
Closed
7
updated
Jul 03, 2019
DOC/ENH: Castep keywords JSON
!1182
· created
May 13, 2019
by
Adam Jackson
CASTEP
Merged
3
1
updated
May 14, 2019
ENH: More forgiving CASTEP input
!935
· created
Aug 30, 2018
by
Simone Sturniolo
CASTEP
Merged
26
updated
Sep 04, 2018