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libAtoms
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matscipy
Materials science with Python at the atomic-scale
http://libatoms.github.io/matscipy/
GNU Lesser General Public License v2.1
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Use LGPL in LICENSE.HEADER instead of GPL
#272
cubanpit
opened
4 days ago
0
Generalization of elastic constant transformation for general basis change.
#271
hongyi-zhao
opened
3 weeks ago
3
MAINT: Upper bound numpy version <2.0.0
#270
thomas-rocke
closed
1 month ago
0
Better handling for atomman and ovito optional deps
#269
thomas-rocke
opened
1 month ago
0
Add documentation of optional dependencies to README/Sphinx docs
#268
thomas-rocke
opened
1 month ago
0
numpy 2 compatibility
#267
jameskermode
opened
1 month ago
0
Disloc self_consistency bugfix & generalised kink mapping
#266
thomas-rocke
closed
1 month ago
0
Unexpected Vacancy in Generating a Straight Edge Dislocation
#265
Weixinyi-Cindy
closed
1 month ago
6
New release after numpy2 fix
#264
stefaanhessmann
closed
3 months ago
3
Action Required: Fix Renovate Configuration
#263
renovate[bot]
opened
4 months ago
0
DOC: fixes the interactive visualisations
#262
pgrigorev
closed
4 months ago
0
NGLView visualisations are broken in the published documentation
#261
pgrigorev
closed
4 months ago
2
Update softprops/action-gh-release action to v2
#260
renovate[bot]
closed
4 months ago
0
Update mikepenz/action-junit-report action to v4
#259
renovate[bot]
closed
4 months ago
0
Update actions/upload-artifact action to v4
#258
renovate[bot]
closed
4 months ago
0
Update actions/setup-python action to v5 - autoclosed
#257
renovate[bot]
closed
4 months ago
0
Update actions/checkout action to v4
#256
renovate[bot]
closed
4 months ago
0
Update pypa/cibuildwheel action to v2.19.2 - autoclosed
#255
renovate[bot]
closed
4 months ago
0
Modernization: CI and numpy 2.0
#254
pastewka
closed
4 months ago
0
Dependency Dashboard
#253
renovate[bot]
opened
4 months ago
0
Update dependency nglview to v3.1.2
#252
renovate[bot]
closed
4 months ago
0
Update dependency docs/nglview to v3.1.2
#251
renovate[bot]
closed
4 months ago
0
Configure Renovate
#250
renovate[bot]
closed
4 months ago
0
ASE neb changes
#249
jameskermode
closed
4 months ago
0
numpy 2
#248
jameskermode
closed
4 months ago
4
Optionally return the dislocation core fit error.
#247
imaliyov
closed
2 months ago
9
Calling neighborlist in C++
#246
CheukHinHoJerry
closed
4 months ago
3
Pair potential for the real part of the Ewald sum
#245
cagrikymk
closed
5 months ago
2
WIP: Disloc kink structure generation
#244
thomas-rocke
closed
2 months ago
1
Switch arm64 from Cirrus to GHA
#243
jameskermode
closed
4 months ago
1
DOC: update reference in non-reactive potential files
#242
threich
closed
4 months ago
0
Hotfix for quadrupoles of CCDDs with no partial distance
#241
thomas-rocke
closed
8 months ago
1
Add JOSS badge and citation guide
#240
threich
closed
9 months ago
0
Create CITATION.cff
#239
threich
closed
9 months ago
1
DOC: typos
#238
threich
closed
9 months ago
1
DOC: minor fixes in paper
#237
threich
closed
9 months ago
0
DOC: Typos, reference fixes
#236
pastewka
closed
9 months ago
1
Use UTF-8 instead of inline Math
#235
xuanxu
closed
10 months ago
0
DOC: Replaced $\mu$ by unicode micro sign
#234
pastewka
closed
10 months ago
0
DOC: Fixed references
#233
pastewka
closed
10 months ago
0
JOSS: Fix affiliation for Lei Zhang
#232
jameskermode
closed
10 months ago
0
DOC: Removed duplicate Jana2019 entry
#231
pastewka
closed
10 months ago
0
DOC: Changed isbn to correct issn
#230
pastewka
closed
10 months ago
0
Improve performance of unittests
#229
thomas-rocke
opened
10 months ago
0
DOC: Updated ChangeLog.md
#228
pastewka
closed
10 months ago
2
DOC: JOSS final editorial changes
#227
pastewka
closed
10 months ago
0
Clean up extra files created by running docs + tests
#226
thomas-rocke
opened
10 months ago
7
Update quasi_static_crack.ipynb
#225
jameskermode
closed
10 months ago
0
pin nglview version to 3.0.8
#224
jotelha
closed
10 months ago
6
DOC: conditionally exclude fenics-dependent notebooks when building the documenation ...
#223
jotelha
closed
10 months ago
0
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