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Add elasticity #621

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81a783d
Add Elasticity calculation
harveydevereux Oct 14, 2025
eeb2c9a
Fix shear/bulk order, rename .dat file
harveydevereux Oct 14, 2025
0522ece
Add optional Voigt order output, test written output
harveydevereux Oct 16, 2025
93133ce
Add normal/shear strain arguments
harveydevereux Oct 22, 2025
36077cc
Adds elasticity to CLI, use shear/normal magnitude and n_strains as E…
harveydevereux Oct 24, 2025
cbe56d8
Adds elasticity api docs
harveydevereux Oct 27, 2025
4bc0bc5
Add elasticity cli user_guide
harveydevereux Oct 27, 2025
4b3ad6e
Fix underlines
harveydevereux Oct 27, 2025
d0d38fa
Fix y_mod unit, add CLI and Python tutorials
harveydevereux Nov 6, 2025
65f2ac6
Fix y_mod units in tests
harveydevereux Nov 6, 2025
d1cef1f
Test opt all and write-structures
harveydevereux Nov 11, 2025
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21 changes: 21 additions & 0 deletions docs/source/apidoc/janus_core.rst
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@ElliottKasoar ElliottKasoar Nov 17, 2025

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I get

/Users/elliottkasoar/Documents/PSDI/janus-core/docs/source/apidoc/janus_core.rst:48: WARNING: py:class reference target not found: ElasticTensor [ref.class]

Can you try updating the intersphinx mapping to include pymatgen, and if that doesn't work, add this to the ignore list?

Original file line number Diff line number Diff line change
Expand Up @@ -44,6 +44,16 @@ janus\_core.calculations.eos module
:undoc-members:
:show-inheritance:

janus\_core.calculations.elasticity module
------------------------------------------

.. automodule:: janus_core.calculations.elasticity
:members:
:special-members:
:private-members:
:undoc-members:
:show-inheritance:

janus\_core.calculations.geom\_opt module
-----------------------------------------

Expand Down Expand Up @@ -117,6 +127,17 @@ janus\_core.cli.eos module
:undoc-members:
:show-inheritance:

janus\_core.cli.elasticity module
---------------------------------

.. automodule:: janus_core.cli.elasticity
:members:
:special-members:
:private-members:
:undoc-members:
:show-inheritance:


janus\_core.cli.geomopt module
------------------------------

Expand Down
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