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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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Interactive visualisation of atomic structures in documentation is broken
#222
threich
closed
10 months ago
12
Building documentation requires Fenics
#221
pastewka
closed
10 months ago
4
MAINT: Move scripts to (installable) CLI
#220
pastewka
closed
10 months ago
7
TST: electrochemistry CLI pipe output test fails in CI ...
#219
jotelha
closed
10 months ago
3
MAINT: Remodel electrochemistry module interface API to adhere to PEP-8 conventions
#218
jotelha
closed
10 months ago
7
BUG: Fix electrochemistry tests
#217
pastewka
closed
10 months ago
0
Part of the electrochemistry module does not follow coding style
#216
pastewka
closed
10 months ago
2
v0.8.1 and v0.9.0 releases
#215
jameskermode
closed
10 months ago
4
Autogenerate documentation previews on pull requests in CI
#214
jotelha
opened
10 months ago
0
CLI and FEniCS integration test cases, addressing Joss review issue 185
#213
jotelha
closed
10 months ago
0
DOC: fix ADF example
#212
threich
closed
10 months ago
0
Some fenics log messages are written to stdout instead of stderr
#211
jotelha
closed
10 months ago
1
documentation addressing Joss review issue 186
#210
jotelha
closed
10 months ago
3
Minor optimization in the documentation.
#209
aklemenz
closed
10 months ago
0
MAINT: Addressing JOSS review reports
#208
pastewka
closed
10 months ago
0
DOC: Example for topology building of amorphous carbon for non-reactive simulations with LAMMPS
#207
threich
closed
10 months ago
0
ENH: Cubic Crystal Dislocation Quadrupoles
#206
thomas-rocke
closed
10 months ago
6
Conda-forge build not working for version 0.8.0
#205
davkovacs
opened
11 months ago
5
BUG: Fix path lims being incorrectly calculated
#204
thomas-rocke
closed
1 year ago
1
Generalise surface reconstruction code
#203
jameskermode
opened
1 year ago
0
Documentation appearance
#202
pgrigorev
opened
1 year ago
3
AnisotropicDislocation
#201
lakshenoy
closed
1 year ago
3
Cosmetic changes to plasticity docs.
#200
pgrigorev
closed
1 year ago
0
DOC: fix for ImportError during documentation build
#199
pgrigorev
closed
1 year ago
0
disable failing arm64 linux builds
#198
jameskermode
closed
1 year ago
0
Additional NCFlex features and updates
#197
Fraser-Birks
closed
1 year ago
1
option for 3D NCFlex simulations
#196
Fraser-Birks
closed
1 year ago
0
Adding mixed mode NCFlex on top of 3D NCFlex
#195
Fraser-Birks
closed
1 year ago
0
2D disloc. grad.
#194
lakshenoy
closed
1 year ago
0
Dislocation simplification & generalisation
#193
thomas-rocke
closed
1 year ago
17
Joss review issue 184, 185, issue 186
#192
jotelha
closed
10 months ago
0
Editable install won't run
#191
jotelha
closed
10 months ago
1
Addressing JOSS submission review: remodeled electrochemistry abstract to properly address issue 183
#190
jotelha
closed
10 months ago
0
JOSS Review: Examples and Tutorials
#189
rashatwi
closed
10 months ago
1
DOC: Plasticity documentation update
#188
pgrigorev
closed
1 year ago
2
fix: protecting sympy imports in manybody potential tests
#187
prs513rosewood
closed
10 months ago
0
[JOSS Review] Documentation
#186
mbarzegary
closed
10 months ago
2
[JOSS Review] Tests
#185
mbarzegary
closed
10 months ago
2
[JOSS Review] Reproducibility and functionality
#184
mbarzegary
closed
10 months ago
1
[JOSS Review] Paper and statement of need
#183
mbarzegary
closed
10 months ago
2
Add EU funders to JOSS acknowlegements
#182
jameskermode
closed
1 year ago
0
Update README.rst
#181
computerscienceiscool
closed
1 year ago
1
DOC: Fix author list
#180
thomas-rocke
closed
1 year ago
0
DOC: Rocke contributions
#179
thomas-rocke
closed
1 year ago
2
Gamma surface & stacking fault tools
#178
thomas-rocke
closed
1 year ago
11
23 opls doc
#177
aklemenz
closed
10 months ago
2
MAINT: switch optimizer to preconditioned LBFGS for improved convergence
#176
jameskermode
closed
10 months ago
0
CommitteeUncertainty compatibility with ACEHAL BiasCalculator
#175
thomas-rocke
closed
1 year ago
2
Elastic constants assumed stress error
#174
thomas-rocke
closed
1 year ago
0
DOC: Import relevant API documentation
#173
pastewka
closed
1 year ago
0
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