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update doc
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qzhu2017 committed Jun 7, 2024
1 parent b6826ba commit 9e6cf29
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Showing 3 changed files with 6 additions and 4 deletions.
4 changes: 2 additions & 2 deletions doc/conf.py
Original file line number Diff line number Diff line change
Expand Up @@ -23,9 +23,9 @@
author = 'Qiang Zhu'

# The short X.Y version
version = '1.0.3'
version = '1.0.5'
# The full version, including alpha/beta/rc tags
release = 'vasprun-xml-1.0.3'
release = 'vasprun-xml-1.0.5'


# -- General configuration ---------------------------------------------------
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4 changes: 3 additions & 1 deletion vasprun/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -889,9 +889,11 @@ def plot_dos(self, ax=None, filename=None, smear=None, flip=False,
e = np.reshape(e, [len(e), 1])
data = np.reshape(plt_obj[label], [len(e), 1])
if smear is not None:
print("Apply smear", smear)
data = np.hstack((e, data))
data = smear_data(data, smear)
data = data[:, 1]

ls = '-' if label=='Total' else '--'
if label.find('down') > 0:
if flip:
Expand Down Expand Up @@ -959,6 +961,6 @@ def plot_band_dos(self, filename=None, band_style='normal', dos_style='t+a', sme
ax1 = plt.subplot(gs[0])
ax1 = self.plot_band(ax1, style=band_style, ylim=e_range, plim=plim, labels=band_labels)
ax2 = plt.subplot(gs[1])
ax2 = self.plot_dos(ax2, style=dos_style, xlim=e_range, dos_range=[0, dos_max], flip=True)
ax2 = self.plot_dos(ax2, style=dos_style, smear=smear, xlim=e_range, dos_range=[0, dos_max], flip=True)
plt.savefig(filename, dpi=dpi)

2 changes: 1 addition & 1 deletion vasprun/version.py
Original file line number Diff line number Diff line change
@@ -1 +1 @@
__version__ = '1.0.4'
__version__ = '1.0.5'

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