diff --git a/doc/source/examples/ADFFrag/ADFFrag.rst b/doc/source/examples/ADFFrag/ADFFrag.rst index 22adfac9..0f3de228 100644 --- a/doc/source/examples/ADFFrag/ADFFrag.rst +++ b/doc/source/examples/ADFFrag/ADFFrag.rst @@ -21,6 +21,7 @@ It simply redirects the usual |AMSResults| methods to the results of the full sy .. literalinclude:: ../../../../src/scm/plams/recipes/adffragment.py + :language: python .. include:: ADFFrag.common_header.rst .. include:: adffrag.ipynb.rst diff --git a/doc/source/examples/ADFNBO/ADFNBO.rst b/doc/source/examples/ADFNBO/ADFNBO.rst index b733bb4b..13c0be5c 100644 --- a/doc/source/examples/ADFNBO/ADFNBO.rst +++ b/doc/source/examples/ADFNBO/ADFNBO.rst @@ -18,7 +18,8 @@ No specialized |Results| subclass is defined for ``ADFNBOJob``. The source code of the whole module: .. literalinclude:: ../../../../src/scm/plams/recipes/adfnbo.py + :language: python .. include:: ADFNBO.common_header.rst .. include:: ADFNBO.ipynb.rst -.. include:: ADFNBO.common_footer.rst \ No newline at end of file +.. include:: ADFNBO.common_footer.rst diff --git a/doc/source/examples/BandFrag/BandFrag.rst b/doc/source/examples/BandFrag/BandFrag.rst index 7da64ad9..ebcba567 100644 --- a/doc/source/examples/BandFrag/BandFrag.rst +++ b/doc/source/examples/BandFrag/BandFrag.rst @@ -20,6 +20,7 @@ It simply redirects the usual |AMSResults| methods to the results of the full sy A derived subclass |NOCVBandFragmentJob| is also provided. It can be usefull for generating NOCV plots after the PEDA-NOCV calculation. .. literalinclude:: ../../../../src/scm/plams/recipes/bandfragment.py + :language: python .. include:: BandFrag.common_header.rst .. include:: bandfrag.ipynb.rst diff --git a/doc/source/examples/COSMORSCompound/COSMORSCompound.rst b/doc/source/examples/COSMORSCompound/COSMORSCompound.rst index 7ff16a5c..223f6ae9 100644 --- a/doc/source/examples/COSMORSCompound/COSMORSCompound.rst +++ b/doc/source/examples/COSMORSCompound/COSMORSCompound.rst @@ -15,10 +15,11 @@ Source code for ``ADFCOSMORSCompound`` .. dropdown:: .. literalinclude:: ../../../../src/scm/plams/recipes/adfcosmorscompound.py + :language: python Brief API Documentation ----------------------- .. automodule:: scm.plams.recipes.adfcosmorscompound :no-special-members: - :exclude-members: _result_type, __init__, new_children, postrun, _get_radii, adf_settings \ No newline at end of file + :exclude-members: _result_type, __init__, new_children, postrun, _get_radii, adf_settings diff --git a/doc/source/examples/NumGrad/NumGrad.rst b/doc/source/examples/NumGrad/NumGrad.rst index 41b618cd..0632cb32 100644 --- a/doc/source/examples/NumGrad/NumGrad.rst +++ b/doc/source/examples/NumGrad/NumGrad.rst @@ -18,7 +18,8 @@ Any function that takes results of a single point job and returns a single numbe The source code of the whole module with both abovementioned classes: .. literalinclude:: ../../../../src/scm/plams/recipes/numgrad.py + :language: python .. include:: NumGrad.common_header.rst .. include:: NumGrad.ipynb.rst -.. include:: NumGrad.common_footer.rst \ No newline at end of file +.. include:: NumGrad.common_footer.rst diff --git a/doc/source/examples/NumHess/NumHess.rst b/doc/source/examples/NumHess/NumHess.rst index 46542d7a..9d125883 100644 --- a/doc/source/examples/NumHess/NumHess.rst +++ b/doc/source/examples/NumHess/NumHess.rst @@ -18,7 +18,8 @@ The returned Hessian can optionally be mass weighted. The source code of the whole module with both aforementioned classes: .. literalinclude:: ../../../../src/scm/plams/recipes/numhess.py + :language: python .. include:: NumHess.common_header.rst .. include:: NumHess.ipynb.rst -.. include:: NumHess.common_footer.rst \ No newline at end of file +.. include:: NumHess.common_footer.rst diff --git a/doc/source/examples/ReorganizationEnergy/ReorganizationEnergy.rst b/doc/source/examples/ReorganizationEnergy/ReorganizationEnergy.rst index c9d82992..2a513113 100644 --- a/doc/source/examples/ReorganizationEnergy/ReorganizationEnergy.rst +++ b/doc/source/examples/ReorganizationEnergy/ReorganizationEnergy.rst @@ -18,6 +18,7 @@ In this recipe we build a job class ``ReorganizationEnergyJob`` by extending |Mu In ``ReorganizationEnergyResults``, the reorganization energy is computed by fetching and combining the results from the children jobs. .. literalinclude:: ../../../../src/scm/plams/recipes/reorganization_energy.py + :language: python .. include:: ReorganizationEnergy.common_header.rst diff --git a/doc/source/examples/pyAHFCDOS.rst b/doc/source/examples/pyAHFCDOS.rst index 3b2e2be4..e663b8db 100644 --- a/doc/source/examples/pyAHFCDOS.rst +++ b/doc/source/examples/pyAHFCDOS.rst @@ -8,5 +8,6 @@ The ``FCFDOS`` class allows one to easily calculate the density of states for an For an example, see :ref:`Vibronic Density of States with ADF`. .. literalinclude:: ../../../src/scm/plams/recipes/fcf_dos.py + :language: python