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Created date
Update Dockerfile
!137
· created
Dec 25, 2023
by
Paul Erhart
2.1
Maintenance
Merged
updated
Dec 27, 2023
Relax version requirement in pyproject.toml
!135
· created
Nov 07, 2023
by
Eric Lindgren
2.1
Maintenance
Merged
updated
Dec 27, 2023
Added zenodo badge to homepage
!133
· created
Oct 16, 2023
by
Paul Erhart
2.1
Maintenance
Merged
3
updated
Dec 27, 2023
Added type conversion to read_nepfile
!78
· created
Jan 31, 2023
by
Paul Erhart
Maintenance
Merged
updated
Feb 02, 2023
Serialize CPUNEP and fix some type hints
!74
· created
Dec 08, 2022
by
Eric Lindgren
Maintenance
Tests
Merged
updated
Feb 02, 2023
Update write_xyz with mass
!73
· created
Nov 14, 2022
by
Erik Fransson
Maintenance
Merged
1
Approved
updated
Feb 02, 2023
Fix xyz.in in docstrings
!70
· created
Oct 19, 2022
by
Paul Erhart
Documentation
Maintenance
Merged
updated
Feb 02, 2023
Updated CPU NEP version to 1.1
!68
· created
Oct 15, 2022
by
Paul Erhart
Maintenance
Merged
1
Approved
updated
Feb 02, 2023
Update read_runfile to gpumd v3.3.1
!66
· created
Oct 12, 2022
by
Eric Lindgren
Maintenance
Merged
4
updated
Feb 02, 2023
Added MPL2 license
!62
· created
Oct 11, 2022
by
Paul Erhart
Maintenance
Merged
updated
Feb 02, 2023
Gpumd v3.4 cpunep
!60
· created
Sep 26, 2022
by
Eric Lindgren
Code Structure
Maintenance
Merged
39
updated
Feb 02, 2023
Update dockerfile to gpumd v3.4.1
!58
· created
Sep 22, 2022
by
Eric Lindgren
CI
Maintenance
Merged
3
updated
Feb 02, 2023
GPUNEP-part of migration to GPUMD v3.4
!57
· created
Sep 22, 2022
by
Eric Lindgren
Code Structure
Maintenance
Merged
10
updated
Feb 02, 2023
Fixed non-standard tags in README.rst that PyPI could not parse
!55
· created
Sep 20, 2022
by
Paul Erhart
Maintenance
Merged
updated
Feb 02, 2023
Upgrade minimum python version to 3.8
!51
· created
Sep 15, 2022
by
Eric Lindgren
Maintenance
Merged
10
updated
Feb 02, 2023
Removed unused code related to convert_gpumd_run_to_traj
!50
· created
Sep 03, 2022
by
Paul Erhart
Code Quality
Maintenance
Merged
updated
Feb 02, 2023
Move cpunep tutorial
!46
· created
Jun 30, 2022
by
Eric Lindgren
Documentation
Maintenance
Merged
10
updated
Feb 02, 2023
Fixed link to gitlab (source repo)
!45
· created
Jun 29, 2022
by
Paul Erhart
Documentation
Maintenance
Merged
updated
Feb 02, 2023
Removed outdated analysis module
!44
· created
Jun 28, 2022
by
Paul Erhart
Code Quality
Maintenance
Merged
updated
Feb 02, 2023
Adapted to switch in notation of stress in IO functions and calculator
!32
· created
May 27, 2022
by
Paul Erhart
Development
Maintenance
Tests
Merged
3
updated
May 30, 2022
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