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Updated date
Explicitly added C++ source files to distribution
!150
· created
Feb 28, 2024
by
Paul Erhart
Bug
CI
Merged
4
Approved
updated
Feb 28, 2024
Fixed parsing of tensors
!147
· created
Feb 20, 2024
by
Paul Erhart
2.2
Bug
Merged
4
updated
Feb 21, 2024
Removed assumption that ensemble kwd has only numeric parameters
!146
· created
Feb 20, 2024
by
Paul Erhart
2.2
Bug
Merged
1
updated
Feb 21, 2024
Resolve "Parsing of NEP3 polarizability models fails"
!141
· created
Jan 09, 2024
by
Eric Lindgren
Bug
Merged
1
updated
Jan 09, 2024
Read ZBL parameters as float
!140
· created
Jan 05, 2024
by
Paul Erhart
Bug
Merged
updated
Jan 05, 2024
Fixed virial parsing from nep-3.6
!119
· created
May 16, 2023
by
Paul Erhart
Bug
Merged
3
updated
Jun 20, 2023
Use pyproject.toml to install pybind11
!123
· created
Jun 19, 2023
by
Eric Lindgren
Bug
CI
Merged
1
1
Approved
updated
Jun 19, 2023
Fixed bug in the deformation generation
!76
· created
Jan 11, 2023
by
Fredrik Eriksson
Bug
Merged
4
1
updated
Feb 02, 2023
Add flatten to get parity data
!71
· created
Nov 12, 2022
by
Paul Erhart
Bug
Feature
Merged
2
updated
Nov 16, 2022
Fixed the stress calculation in CPUNEP
!59
· created
Sep 25, 2022
by
Paul Erhart
Bug
Merged
1
Approved
updated
Sep 26, 2022
Use TemporaryFile instead of os.devnull to redirect stdout
!38
· created
Jun 15, 2022
by
Magnus Rahm
Bug
Merged
updated
Jun 15, 2022
Fix import error in calculator tutorial
!35
· created
Jun 15, 2022
by
Magnus Rahm
Bug
Merged
updated
Jun 15, 2022
run_custom_md fails when called immediately after attaching calculator
!13
· created
Mar 14, 2022
by
Patrik Wallin Hybelius
Bug
Merged
2
2
updated
Mar 16, 2022
BUG: velocity units in ase trajectory
!12
· created
Mar 14, 2022
by
Patrik Wallin Hybelius
Bug
Merged
1
updated
Mar 15, 2022
BUG: Made it possible to parse information from FCP files that have been...
!3
· created
Aug 23, 2021
by
Joakim Brorsson
Bug
Doing
Merged
updated
Aug 25, 2021