.. DO NOT EDIT. .. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY. .. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE: .. "gallery/plot_multiple_hist.py" .. LINE NUMBERS ARE GIVEN BELOW. .. only:: html .. note:: :class: sphx-glr-download-link-note Click :ref:`here ` to download the full example code or to run this example in your browser via Binder .. rst-class:: sphx-glr-example-title .. _sphx_glr_gallery_plot_multiple_hist.py: Multiple Structural relaxations =============================== This example shows how to analyze the results of multiple structure relaxations with the HIST robot. .. GENERATED FROM PYTHON SOURCE LINES 9-28 .. rst-class:: sphx-glr-horizontal * .. image:: /gallery/images/sphx_glr_plot_multiple_hist_001.png :alt: ../../data/refs/sic_relax_HIST.nc, ../../data/refs/sic_relax_HIST.nc :class: sphx-glr-multi-img * .. image:: /gallery/images/sphx_glr_plot_multiple_hist_002.png :alt: plot multiple hist :class: sphx-glr-multi-img .. rst-class:: sphx-glr-script-out Out: .. code-block:: none formula natom alpha beta ... initial_fmax initial_fmean initial_fstd initial_drift sic_relaxation Si1 C1 2 60.0 60.0 ... 1.095144e-29 1.095144e-29 0.0 0.0 same_hist Si1 C1 2 60.0 60.0 ... 1.095144e-29 1.095144e-29 0.0 0.0 [2 rows x 26 columns]
| .. code-block:: default from abipy import abilab import abipy.data as abidata files = [ abidata.ref_file("sic_relax_HIST.nc"), abidata.ref_file("sic_relax_HIST.nc"), ] # Build HIST robot from paths, use user-selected labels. robot = abilab.HistRobot.from_files(files, labels=["sic_relaxation", "same_hist"]) # Get dataframe with most important results. print(robot.get_dataframe()) robot.gridplot() # Use combiplot to compare the results # (meaningless in this case as we are using the same HIST file). robot.combiplot() .. rst-class:: sphx-glr-timing **Total running time of the script:** ( 0 minutes 0.937 seconds) .. _sphx_glr_download_gallery_plot_multiple_hist.py: .. only :: html .. container:: sphx-glr-footer :class: sphx-glr-footer-example .. container:: binder-badge .. image:: images/binder_badge_logo.svg :target: https://mybinder.org/v2/gh/abinit/abipy/gh-pages?filepath=notebooks/gallery/plot_multiple_hist.ipynb :alt: Launch binder :width: 150 px .. container:: sphx-glr-download sphx-glr-download-python :download:`Download Python source code: plot_multiple_hist.py ` .. container:: sphx-glr-download sphx-glr-download-jupyter :download:`Download Jupyter notebook: plot_multiple_hist.ipynb ` .. only:: html .. rst-class:: sphx-glr-signature `Gallery generated by Sphinx-Gallery `_