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Bug fixes
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@lllangWV
lllangWV committed Aug 7, 2023
1 parent 40dedda commit 86f211d
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Showing 62 changed files with 147 additions and 137 deletions.
2 changes: 1 addition & 1 deletion sphinx/source/conf.py
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# The short X.Y version
version = ""
# The full version, including alpha/beta/rc tags
release = "6.0.0"
release = "6.1.0"


# -- pyvista configuration ---------------------------------------------------
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18 changes: 9 additions & 9 deletions sphinx/source/examples/00-band_structure/plotting_colinear.rst
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--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F61614F0>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3DB47BB0>
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--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F6695490>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3A72DCA0>
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--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F8B24280>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3CD5A070>
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--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F6422F40>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3C6FD2E0>
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--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F4FE24C0>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3BFCC7F0>
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--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F7432E20>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3C1DCA30>
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--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F63D3D90>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3A69D160>
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--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F4FEFD00>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3A50D190>
.. rst-class:: sphx-glr-timing

**Total running time of the script:** ( 0 minutes 3.671 seconds)
**Total running time of the script:** ( 0 minutes 3.995 seconds)


.. _sphx_glr_download_examples_00-band_structure_plotting_colinear.py:
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4 changes: 2 additions & 2 deletions sphinx/source/examples/00-band_structure/plotting_compare_bands.rst
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Expand Up @@ -110,14 +110,14 @@ This object has information about the band structure and has matplotlib.axes.Axe
--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F6A50400>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3E2F1E50>
.. rst-class:: sphx-glr-timing

**Total running time of the script:** ( 0 minutes 0.519 seconds)
**Total running time of the script:** ( 0 minutes 0.577 seconds)


.. _sphx_glr_download_examples_00-band_structure_plotting_compare_bands.py:
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6 changes: 3 additions & 3 deletions sphinx/source/examples/00-band_structure/plotting_noncolinear_qe.rst
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Expand Up @@ -109,7 +109,7 @@ Plain mode
--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F85D5310>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3A61E070>
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--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F85B1E80>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3A7D8DF0>
.. rst-class:: sphx-glr-timing

**Total running time of the script:** ( 0 minutes 1.617 seconds)
**Total running time of the script:** ( 0 minutes 1.849 seconds)


.. _sphx_glr_download_examples_00-band_structure_plotting_noncolinear_qe.py:
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6 changes: 3 additions & 3 deletions sphinx/source/examples/00-band_structure/plotting_noncolinear_vasp.rst
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Expand Up @@ -96,7 +96,7 @@ Plain mode
--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5CAD42190>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3A49F6D0>
Expand Down Expand Up @@ -149,14 +149,14 @@ For details on the meaning of the indices of the atomic projection please refer
--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F4C490A0>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3A37B940>
.. rst-class:: sphx-glr-timing

**Total running time of the script:** ( 0 minutes 2.348 seconds)
**Total running time of the script:** ( 0 minutes 2.663 seconds)


.. _sphx_glr_download_examples_00-band_structure_plotting_noncolinear_vasp.py:
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10 changes: 5 additions & 5 deletions sphinx/source/examples/00-band_structure/plotting_spin_polarized.rst
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Expand Up @@ -98,7 +98,7 @@ The default settings bandsplot will plot the spin-up and spin-down bands on the
--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F8B384C0>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3B8531F0>
Expand Down Expand Up @@ -142,7 +142,7 @@ The keyword spins can also be used to select which spin bands to plot
--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5CAC3FEB0>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3B8225B0>
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--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5CACB7B50>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3A471760>
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--------------------------------------------------------
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000001D5F65BC070>
<pyprocar.plotter.ebs_plot.EBSPlot object at 0x000002EB3C1E5640>
.. rst-class:: sphx-glr-timing

**Total running time of the script:** ( 0 minutes 2.898 seconds)
**Total running time of the script:** ( 0 minutes 2.845 seconds)


.. _sphx_glr_download_examples_00-band_structure_plotting_spin_polarized.py:
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12 changes: 6 additions & 6 deletions sphinx/source/examples/00-band_structure/sg_execution_times.rst
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Computation times
=================
**00:11.052** total execution time for **examples_00-band_structure** files:
**00:11.929** total execution time for **examples_00-band_structure** files:

+------------------------------------------------------------------------------------------------------------+-----------+--------+
| :ref:`sphx_glr_examples_00-band_structure_plotting_colinear.py` (``plotting_colinear.py``) | 00:03.671 | 0.0 MB |
| :ref:`sphx_glr_examples_00-band_structure_plotting_colinear.py` (``plotting_colinear.py``) | 00:03.995 | 0.0 MB |
+------------------------------------------------------------------------------------------------------------+-----------+--------+
| :ref:`sphx_glr_examples_00-band_structure_plotting_spin_polarized.py` (``plotting_spin_polarized.py``) | 00:02.898 | 0.0 MB |
| :ref:`sphx_glr_examples_00-band_structure_plotting_spin_polarized.py` (``plotting_spin_polarized.py``) | 00:02.845 | 0.0 MB |
+------------------------------------------------------------------------------------------------------------+-----------+--------+
| :ref:`sphx_glr_examples_00-band_structure_plotting_noncolinear_vasp.py` (``plotting_noncolinear_vasp.py``) | 00:02.348 | 0.0 MB |
| :ref:`sphx_glr_examples_00-band_structure_plotting_noncolinear_vasp.py` (``plotting_noncolinear_vasp.py``) | 00:02.663 | 0.0 MB |
+------------------------------------------------------------------------------------------------------------+-----------+--------+
| :ref:`sphx_glr_examples_00-band_structure_plotting_noncolinear_qe.py` (``plotting_noncolinear_qe.py``) | 00:01.617 | 0.0 MB |
| :ref:`sphx_glr_examples_00-band_structure_plotting_noncolinear_qe.py` (``plotting_noncolinear_qe.py``) | 00:01.849 | 0.0 MB |
+------------------------------------------------------------------------------------------------------------+-----------+--------+
| :ref:`sphx_glr_examples_00-band_structure_plotting_compare_bands.py` (``plotting_compare_bands.py``) | 00:00.519 | 0.0 MB |
| :ref:`sphx_glr_examples_00-band_structure_plotting_compare_bands.py` (``plotting_compare_bands.py``) | 00:00.577 | 0.0 MB |
+------------------------------------------------------------------------------------------------------------+-----------+--------+
14 changes: 7 additions & 7 deletions sphinx/source/examples/01-dos/plotting_colinear_dos.rst
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--------------------------------------------------------
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D5F657BC40>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB1032D0A0>
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--------------------------------------------------------
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D5F662C760>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB3F3EA8B0>
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--------------------------------------------------------
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D5F4F61B20>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB1031EF70>
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The plot only considers orbitals [4, 5, 6, 7, 8]
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D58D80D730>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB3C741130>
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The plot only considers atoms ['Fe']
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D58D9A8730>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB49DCEDC0>
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--------------------------------------------------------
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D58D9A4640>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB3C72B8B0>
.. rst-class:: sphx-glr-timing

**Total running time of the script:** ( 0 minutes 28.175 seconds)
**Total running time of the script:** ( 0 minutes 28.507 seconds)


.. _sphx_glr_download_examples_01-dos_plotting_colinear_dos.py:
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4 changes: 2 additions & 2 deletions sphinx/source/examples/01-dos/plotting_noncolinear_dos_qe.rst
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Expand Up @@ -105,14 +105,14 @@ For details on the meaning of the indices of the atomic projection please refer
--------------------------------------------------------
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D5CAC3FEB0>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB3DB43370>
.. rst-class:: sphx-glr-timing

**Total running time of the script:** ( 0 minutes 23.637 seconds)
**Total running time of the script:** ( 0 minutes 25.358 seconds)


.. _sphx_glr_download_examples_01-dos_plotting_noncolinear_dos_qe.py:
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4 changes: 2 additions & 2 deletions sphinx/source/examples/01-dos/plotting_noncolinear_dos_vasp.rst
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Expand Up @@ -104,14 +104,14 @@ For details on the meaning of the indices of the atomic projection please refer
--------------------------------------------------------
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D5F4FC06A0>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB3BFEEC10>
.. rst-class:: sphx-glr-timing

**Total running time of the script:** ( 0 minutes 5.579 seconds)
**Total running time of the script:** ( 0 minutes 6.410 seconds)


.. _sphx_glr_download_examples_01-dos_plotting_noncolinear_dos_vasp.py:
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16 changes: 8 additions & 8 deletions sphinx/source/examples/01-dos/plotting_spin_polarized_dos.rst
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Expand Up @@ -96,7 +96,7 @@ The default settings bandsplot will plot the spin-up and spin-down bands on the
--------------------------------------------------------
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D58DA0AB80>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB49D3B5B0>
Expand Down Expand Up @@ -140,7 +140,7 @@ The keyword spins can also be used to select which spin bands to plot
--------------------------------------------------------
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D580CA0E50>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB49DF8C40>
Expand Down Expand Up @@ -193,7 +193,7 @@ For details on the meaning of the indices of the atomic projection please refer
--------------------------------------------------------
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D58D80D370>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB3A433220>
Expand Down Expand Up @@ -248,7 +248,7 @@ For details on the meaning of the indices of the atomic projection please refer
--------------------------------------------------------
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D5F510EF70>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB49DB3EB0>
Expand Down Expand Up @@ -298,7 +298,7 @@ stack_species mode
The plot only considers orbitals [4, 5, 6, 7, 8]
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D58909D460>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB3A4950A0>
Expand Down Expand Up @@ -349,7 +349,7 @@ stack_orbtials mode
The plot only considers atoms ['Fe']
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D5F6A4C460>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB3F9B96D0>
Expand Down Expand Up @@ -397,14 +397,14 @@ stack mode
--------------------------------------------------------
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000001D5F6295B80>
<pyprocar.plotter.dos_plot.DOSPlot object at 0x000002EB3B948400>
.. rst-class:: sphx-glr-timing

**Total running time of the script:** ( 0 minutes 3.419 seconds)
**Total running time of the script:** ( 0 minutes 3.294 seconds)


.. _sphx_glr_download_examples_01-dos_plotting_spin_polarized_dos.py:
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