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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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Documentation for the plasticity section.
#172
pgrigorev
closed
1 year ago
2
Minor changes regarding 108 joss submission,Freiburg electrochemistry bits
#171
jotelha
closed
1 year ago
0
DOC: Fixed middle authors to alphabetical
#170
pastewka
closed
1 year ago
0
DOC: Fixed more DOIs
#169
pastewka
closed
1 year ago
0
DOC: Fixed DOIs and Jacek's affiliation
#168
pastewka
closed
1 year ago
0
Re-add author Punit Patel; add missing grant ref
#167
jameskermode
closed
1 year ago
0
DOC: Fixed to building documentation and to the documentation itself
#166
pastewka
closed
1 year ago
0
DOC joss submission - example for pressurecoupling
#165
threich
closed
1 year ago
0
Patch 1 eam reference
#164
wgnoehring
closed
1 year ago
1
WIP: Bring adaptive-cont up-to-date with master and add Cauchy-Born shift and Surface Reconstruction code
#163
Fraser-Birks
closed
1 year ago
0
WIP: Adaptive continuation improvements
#162
jameskermode
closed
1 year ago
1
Tests only run properly when `pytest` is executed in the `tests` subdirectory
#161
pastewka
closed
11 months ago
1
DOC: JOSS submission and updated documentation
#160
pastewka
closed
1 year ago
4
108 joss submission
#159
pgrigorev
closed
1 year ago
0
always return array of length maxlength
#158
richardjana
closed
1 year ago
2
fix: "\s" is now an invalid escape sequence
#157
prs513rosewood
closed
1 year ago
1
scipy.optimize.NoConvergence no longer exists
#156
prs513rosewood
closed
1 year ago
3
Make sure only normalized vectors are compared.
#155
kbal
closed
1 year ago
3
Update build-wheels.yml
#154
jameskermode
closed
1 year ago
0
Make sure that l is rotated into the x direction.
#153
kbal
closed
1 year ago
3
Rotation in elastic_moduli
#152
kbal
closed
1 year ago
2
added FCC dislocations to dislocation module
#151
pgrigorev
closed
1 year ago
4
CI: Use pip to install meson and ninja, also when publishing
#150
pastewka
closed
1 year ago
0
BUILD: Disable pure builds
#149
pastewka
closed
1 year ago
1
fail to install from github in github CI
#148
bernstei
closed
1 year ago
8
BUG: fixed erroneous conditional
#147
simonwengert
closed
1 year ago
0
New PyPI release
#146
jameskermode
closed
1 year ago
4
ENH: added implementation for committe (of models) approach as a Calculator, including TST
#145
simonwengert
closed
1 year ago
4
Contributions from Freiburg
#144
prs513rosewood
closed
1 year ago
0
Opls cleanup
#143
aklemenz
closed
1 year ago
3
removed contact_mechanics submodule
#142
prs513rosewood
closed
1 year ago
0
Collected documentation edits & fixes
#141
prs513rosewood
closed
1 year ago
3
WIP: 108 joss submission freiburg electrochemistry
#140
jotelha
closed
1 year ago
2
arm64 wheel builds in Cirrus CI
#139
jameskermode
closed
1 year ago
2
Update build-wheels.yml
#138
jameskermode
closed
1 year ago
0
Update build-wheels.yml
#137
jameskermode
closed
1 year ago
3
Update build-wheels.yml
#136
jameskermode
closed
1 year ago
0
Update build-wheels.yml
#135
jameskermode
closed
1 year ago
0
2nd attempt at fixing restricting sdist
#134
jameskermode
closed
1 year ago
1
Upload sdist only with one python version
#133
jameskermode
closed
1 year ago
0
ARM64 builds
#132
jameskermode
closed
1 year ago
1
move publishing of sdist tarball to build-wheels workflow
#131
jameskermode
closed
1 year ago
0
BUG: Removed np.asscalar()
#130
Fraser-Birks
closed
1 year ago
1
CI: Run build wheels for any tag
#129
pastewka
closed
1 year ago
0
Updated README
#128
prs513rosewood
closed
1 year ago
0
Add arm64 support to wheel builder
#127
jameskermode
closed
1 year ago
1
Include new matscipy.precon module in meson build script
#126
jameskermode
closed
1 year ago
0
Update install instructions in README
#125
jameskermode
closed
1 year ago
0
Documentation build fix
#124
prs513rosewood
closed
1 year ago
0
CI: Fix building of documentaion
#123
pastewka
closed
1 year ago
0
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