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NQCD
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NQCBase.jl
Base definitions of atoms, cell and unit conversions used in NQCModels.jl and NQCDynamics.jl.
MIT License
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AtomsBase unit tests fail due to cell comparison
#17
Alexsp32
opened
4 days ago
0
Compatibility with AtomsBase v0.4, ExtXYZ v0.2
#16
Alexsp32
closed
2 weeks ago
0
CompatHelper: bump compat for AtomsBase to 0.4, (keep existing compat)
#15
github-actions[bot]
opened
1 month ago
0
CompatHelper: bump compat for ExtXYZ to 0.2, (keep existing compat)
#14
github-actions[bot]
opened
1 month ago
0
Ensure compatibility for newest AtomsBase version
#13
Alexsp32
closed
4 days ago
1
Fix CompatHelper not working for Repo
#12
Alexsp32
opened
1 month ago
0
Add PythonCall.jl support
#11
Alexsp32
closed
2 months ago
1
Add ASE structure support for PythonCall.jl
#10
Alexsp32
closed
2 months ago
1
Ring polymer cellboundary
#9
Alexsp32
opened
6 months ago
0
Add methods for cell boundaries to apply to ring-polymer systems.
#8
Alexsp32
opened
6 months ago
0
Add convenience functions for diatomic molecules
#7
Alexsp32
closed
10 months ago
1
Add AtomsBase conversions
#6
jamesgardner1421
closed
1 year ago
0
Remove static arrays
#5
jamesgardner1421
closed
2 years ago
0
Rename package
#4
jamesgardner1421
closed
2 years ago
0
Fixing cell transpose
#3
jamesgardner1421
closed
3 years ago
0
Add extxyz IO and ase conversions
#2
jamesgardner1421
closed
3 years ago
0
CompatHelper: bump compat for "StaticArrays" to "1"
#1
github-actions[bot]
closed
3 years ago
0