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Updated date
Add stop_if conditionals to HTC Workflows
!80
· created
Apr 08, 2022
by
Thomas Purcell
Merged
10
updated
Jun 20, 2023
Remove maximum version for ase
!94
· created
Apr 28, 2023
by
Marcel
Merged
2
1
Approved
updated
Apr 28, 2023
When setting supercell or ref_atoms also update displacements
!93
· created
Apr 24, 2023
by
Thomas Purcell
Bug
Merged
17
updated
Apr 25, 2023
docs | update installation instructions
!92
· created
Apr 13, 2023
by
Florian Knoop
Merged
1
1
updated
Apr 14, 2023
fix | make multiprocessing optional for get_hf_data
!91
· created
Feb 07, 2023
by
Marcel
Enhancement
Merged
2
updated
Feb 08, 2023
supercell | only import fortran module when needed
!90
· created
Feb 07, 2023
by
Florian Knoop
Merged
1
updated
Feb 07, 2023
fix | socketio helper for calculator w/o parameters
!89
· created
Feb 06, 2023
by
Marcel
Bug
Merged
1
Approved
updated
Feb 06, 2023
maint | replace deprecated `np.float` with `float` and `np.double`
!88
· created
Jan 26, 2023
by
Florian Knoop
Merged
4
updated
Jan 31, 2023
Fix bug converting Aims ase calculator to a dictionary
!86
· created
Sep 13, 2022
by
daniel speckhard
Merged
5
Approved
updated
Sep 22, 2022
Release: 1.0.4
!84
· created
Aug 16, 2022
by
Florian Knoop
Merged
1
updated
Aug 16, 2022
fix | re-enable `workdir: auto` keywork in phonopy workflow
!82
· created
Jun 14, 2022
by
Florian Knoop
Merged
1
updated
Aug 16, 2022
MAINT: Dependencies
!83
· created
Aug 16, 2022
by
Florian Knoop
Merged
1
updated
Aug 16, 2022
Explictly limit ASE to be less than or equal to 3.22.0
!74
· created
Nov 25, 2021
by
Thomas Purcell
Merged
3
updated
Aug 16, 2022
Add warnings about Hartree conversions when using the socket
!81
· created
Apr 22, 2022
by
Thomas Purcell
Merged
8
updated
Apr 28, 2022
Correct PDOS calculation
!79
· created
Mar 22, 2022
by
Thomas Purcell
Bug
Merged
9
updated
Mar 25, 2022
Use commensurate q pts
!64
· created
Feb 16, 2021
by
Thomas Purcell
Bug
Merged
3
1
updated
Feb 21, 2022
BUG FIX: Phono3py postprocess calculated_atoms fix
!77
· created
Jan 12, 2022
by
Thomas Purcell
Bug
Merged
5
updated
Jan 12, 2022
Update FireWorks files to match new interface
!76
· created
Dec 23, 2021
by
Thomas Purcell
enh_hma
Merged
2
Approved
updated
Dec 23, 2021
Correct FireWorks Interface
!75
· created
Dec 23, 2021
by
Thomas Purcell
Bug
Merged
4
updated
Dec 23, 2021
FIX: update mkdocs and fix pipeline
!73
· created
Nov 03, 2021
by
Florian Knoop
Merged
updated
Nov 03, 2021
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