if isinstance(location, (int, float)):
location = str(location)
+ incol = 1
if 'ncol' in kwargs:
for l in locations:
l['ncol'] = kwargs['ncol']
+ incol = kwargs['ncol']
del kwargs['ncol']
fin = False
if custom:
for i, a in enumerate(ax):
if a is not None and location in names[i]:
- legend = a.legend(loc='best', *args, **kwargs)
+ legend = a.legend(loc='best', ncol=incol,
+ *args, **kwargs)
fin = True
break
if not fin:
@@ -191,8 +195,7 @@ Source code for tp.axes.legend
for i, a in enumerate(ax):
if a is not None and location in names[i]:
legend = a.legend(loc='best', handles=handles,
- labels=labels,
- ncol=locations[i]['ncol'],
+ labels=labels, ncol=incol,
*args, **kwargs)
fin = True
break
@@ -222,16 +225,17 @@ Source code for tp.axes.legend
if isinstance(location, (int, float)):
location = str(location)
+ incol = 1
if 'ncol' in kwargs:
for l in locations:
l['ncol'] = kwargs['ncol']
+ incol = kwargs['ncol']
del kwargs['ncol']
fin = False
for i, a in enumerate(ax):
if location in names[i]:
- legend = a.legend(loc='best', ncol=locations[i]['ncol'],
- *args, **kwargs)
+ legend = a.legend(loc='best', ncol=incol, *args, **kwargs)
fin = True
break
if not fin:
diff --git a/docs/_modules/tp/axes/small.html b/docs/_modules/tp/axes/small.html
index a8d03cc..7b17b27 100644
--- a/docs/_modules/tp/axes/small.html
+++ b/docs/_modules/tp/axes/small.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.axes.small
-
diff --git a/docs/_modules/tp/calculate.html b/docs/_modules/tp/calculate.html
index 9bcec1b..49edcb8 100644
--- a/docs/_modules/tp/calculate.html
+++ b/docs/_modules/tp/calculate.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.calculate
-
diff --git a/docs/_modules/tp/cli/options.html b/docs/_modules/tp/cli/options.html
index 1e4a2ac..ddf5fc4 100644
--- a/docs/_modules/tp/cli/options.html
+++ b/docs/_modules/tp/cli/options.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.cli.options
-
diff --git a/docs/_modules/tp/data/load.html b/docs/_modules/tp/data/load.html
index 57d08e8..dd4e1cc 100644
--- a/docs/_modules/tp/data/load.html
+++ b/docs/_modules/tp/data/load.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.data.load
-
diff --git a/docs/_modules/tp/data/resolve.html b/docs/_modules/tp/data/resolve.html
index 291743d..08505e3 100644
--- a/docs/_modules/tp/data/resolve.html
+++ b/docs/_modules/tp/data/resolve.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.data.resolve
-
diff --git a/docs/_modules/tp/data/run.html b/docs/_modules/tp/data/run.html
index 6ff38b7..9711395 100644
--- a/docs/_modules/tp/data/run.html
+++ b/docs/_modules/tp/data/run.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.data.run
-
diff --git a/docs/_modules/tp/data/save.html b/docs/_modules/tp/data/save.html
index b2871f2..9a4773a 100644
--- a/docs/_modules/tp/data/save.html
+++ b/docs/_modules/tp/data/save.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.data.save
-
diff --git a/docs/_modules/tp/data/utilities.html b/docs/_modules/tp/data/utilities.html
index a3f7c3e..fd2547e 100644
--- a/docs/_modules/tp/data/utilities.html
+++ b/docs/_modules/tp/data/utilities.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.data.utilities
-
diff --git a/docs/_modules/tp/plot/colour.html b/docs/_modules/tp/plot/colour.html
index 9ca0d08..6fc504f 100644
--- a/docs/_modules/tp/plot/colour.html
+++ b/docs/_modules/tp/plot/colour.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.plot.colour
-
diff --git a/docs/_modules/tp/plot/frequency.html b/docs/_modules/tp/plot/frequency.html
index 079ca40..8250951 100644
--- a/docs/_modules/tp/plot/frequency.html
+++ b/docs/_modules/tp/plot/frequency.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.plot.frequency
-
diff --git a/docs/_modules/tp/plot/heatmap.html b/docs/_modules/tp/plot/heatmap.html
index 027f808..3497c51 100644
--- a/docs/_modules/tp/plot/heatmap.html
+++ b/docs/_modules/tp/plot/heatmap.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.plot.heatmap
-
@@ -552,7 +553,7 @@ Source code for tp.plot.heatmap
-[docs]def add_ztmap(ax, data, kdata=None, direction='avg', xinterp=200,
+
[docs]def add_ztmap(ax, data, kdata=1., direction='avg', xinterp=200,
yinterp=200, kind='linear', xmin=None, xmax=None, ymin=None,
ymax=None, cmin=None, cmax=None, colour='viridis', **kwargs):
"""Convenience wrapper for plotting ZT heatmaps.
@@ -636,6 +637,8 @@
Source code for tp.plot.heatmap
data = tp.data.utilities.resolve(data, 'zt', direction=direction)
else:
data = tp.data.utilities.resolve(data, equants, direction=direction)
+ if kdata is None:
+ kdata = 1.
if not isinstance(kdata, (int, float)):
kdata = tp.data.utilities.resolve(kdata, ltc, direction=direction)
@@ -666,7 +669,7 @@ Source code for tp.plot.heatmap
-[docs]def add_ztdiff(ax, data1, data2, kdata1=None, kdata2=None, direction='avg',
+
[docs]def add_ztdiff(ax, data1, data2, kdata1=1., kdata2=1., direction='avg',
xinterp=200, yinterp=200, kind='linear', xmin=None, xmax=None,
ymin=None, ymax=None, cmin=None, cmax=None, colour1='#800080',
colour2='#FF8000', midcolour='#FFFFFF', label1=None,
@@ -766,6 +769,8 @@
Source code for tp.plot.heatmap
else:
data[i] = tp.data.utilities.resolve(data[i], equants,
direction=direction)
+ if kdata[i] is None:
+ kdata[i] = 1.
if not isinstance(kdata[i], (int, float)):
kdata[i] = tp.data.utilities.resolve(kdata[i], ltc,
direction=direction)
diff --git a/docs/_modules/tp/plot/mfp.html b/docs/_modules/tp/plot/mfp.html
index 8cf1459..8ee7bfd 100644
--- a/docs/_modules/tp/plot/mfp.html
+++ b/docs/_modules/tp/plot/mfp.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.plot.mfp
-
diff --git a/docs/_modules/tp/plot/phonons.html b/docs/_modules/tp/plot/phonons.html
index 04106e1..4990b7b 100644
--- a/docs/_modules/tp/plot/phonons.html
+++ b/docs/_modules/tp/plot/phonons.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.plot.phonons
-
@@ -123,6 +124,8 @@ Source code for tp.plot.phonons
except FileNotFoundError:
conf = None
+workers = tp.settings.get_workers()
+
[docs]def add_dispersion(ax, data, sdata=None, bandmin=None, bandmax=None, main=True,
label=None, colour='#800080', linestyle='solid',
marker=None, xmarkkwargs={}, **kwargs):
@@ -426,13 +429,14 @@
Source code for tp.plot.phonons
-
[docs]def add_alt_dispersion(ax, data, pdata, quantity, bandmin=None, bandmax=None,
+
[docs]@tp.docstring_replace(workers=str(workers))
+
def add_alt_dispersion(ax, data, pdata, quantity, bandmin=None, bandmax=None,
temperature=300, direction='avg', label=['Longitudinal',
'Transverse_1', 'Transverse_2', 'Optic'],
poscar='POSCAR', main=True, log=False,
interpolate=10000, smoothing=5, colour=['#44ffff',
'#ff8044', '#ff4444', '#00000010'], linestyle='-',
-
marker=None, workers=32, xmarkkwargs={}, verbose=False,
+
marker=None, workers=workers, xmarkkwargs={}, verbose=False,
**kwargs):
"""Plots a phono3py quantity on a high-symmetry path.
@@ -510,7 +514,7 @@
Source code for tp.plot.phonons
marker(s). Default: None.
workers : int, optional
- number of workers for paralellised section. Default: 32.
+ number of workers for paralellised section. Default: {workers}.
verbose : bool, optional
Write actual temperature used if applicable.
Default: False.
@@ -648,11 +652,12 @@ Source code for tp.plot.phonons
-[docs]def add_projected_dispersion(ax, data, pdata, quantity, bandmin=None,
+
[docs]@tp.docstring_replace(workers=str(workers))
+
def add_projected_dispersion(ax, data, pdata, quantity, bandmin=None,
bandmax=None, temperature=300, direction='avg',
poscar='POSCAR', main=True, interpolate=500,
colour='viridis_r', cmin=None, cmax=None,
-
cscale=None, unoccupied='grey', workers=32,
+
cscale=None, unoccupied='grey', workers=workers,
xmarkkwargs={}, verbose=False, **kwargs):
"""Plots a phonon dispersion with projected colour.
@@ -728,7 +733,7 @@
Source code for tp.plot.phonons
this feature is turned off. Default: grey.
workers : int, optional
- number of workers for paralellised section. Default: 32.
+ number of workers for paralellised section. Default: {workers}.
verbose : bool, optional
Write actual temperature used if applicable.
Default: False.
@@ -875,13 +880,15 @@ Source code for tp.plot.phonons
-[docs]def add_alt_projected_dispersion(ax, data, pdata, quantity, projected,
+
[docs]@tp.docstring_replace(workers=str(workers))
+
def add_alt_projected_dispersion(ax, data, pdata, quantity, projected,
bandmin=None, bandmax=None, temperature=300,
direction='avg', poscar='POSCAR', main=True,
log=False, interpolate=10000, smoothing=10,
colour='viridis_r', cmin=None, cmax=None,
-
cscale=None, unoccupied='grey', workers=32,
-
xmarkkwargs={}, verbose=False, **kwargs):
+
cscale=None, unoccupied='grey',
+
workers=workers, xmarkkwargs={},
+
verbose=False, **kwargs):
"""Plots a phono3py quantity on a high-symmetry path and projection.
Just because you can, doesn't mean you should. A maxim I may fail to
@@ -960,7 +967,7 @@
Source code for tp.plot.phonons
this feature is turned off. Default: grey.
workers : int, optional
- number of workers for paralellised section. Default: 32.
+ number of workers for paralellised section. Default: {workers}.
verbose : bool, optional
Write actual temperature used if applicable.
Default: False.
@@ -1114,9 +1121,10 @@ Source code for tp.plot.phonons
-[docs]def add_wideband(ax, kdata, pdata, temperature=300, poscar='POSCAR', main=True,
-
smoothing=5, colour='viridis', workers=32, xmarkkwargs={},
-
verbose=False, **kwargs):
+
[docs]@tp.docstring_replace(workers=str(workers))
+
def add_wideband(ax, kdata, pdata, temperature=300, poscar='POSCAR', main=True,
+
smoothing=5, colour='viridis', workers=workers,
+
xmarkkwargs={}, verbose=False, **kwargs):
"""Plots a phonon dispersion with broadened bands.
Requires a POSCAR.
@@ -1168,7 +1176,7 @@
Source code for tp.plot.phonons
colour recognised by matplotlib. Default: viridis.
workers : int, optional
- number of workers for paralellised section. Default: 32.
+ number of workers for paralellised section. Default: {workers}.
verbose : bool, optional
Write actual temperature used if applicable.
Default: False.
diff --git a/docs/_modules/tp/plot/utilities.html b/docs/_modules/tp/plot/utilities.html
index 43b5832..300436b 100644
--- a/docs/_modules/tp/plot/utilities.html
+++ b/docs/_modules/tp/plot/utilities.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.plot.utilities
-
diff --git a/docs/_modules/tp/settings.html b/docs/_modules/tp/settings.html
index 915b528..4efd1aa 100644
--- a/docs/_modules/tp/settings.html
+++ b/docs/_modules/tp/settings.html
@@ -62,6 +62,7 @@
- »
- Module code »
+ - tp »
- tp.settings
-
@@ -133,6 +134,9 @@ Source code for tp.settings
list of slightly abbreviated axis labels.
short_labels:
list of fully contracted axis labels.
+
+ get_workers:
+ number of workers for parallelisation
"""
import os
@@ -717,6 +721,20 @@ Source code for tp.settings
labels = {**labels, **conf['short_labels']}
return labels
diff --git a/docs/_modules/tp/setup/vasp.html b/docs/_modules/tp/setup/vasp.html
index a4dfd7d..62936af 100644
--- a/docs/_modules/tp/setup/vasp.html
+++ b/docs/_modules/tp/setup/vasp.html
@@ -62,6 +62,7 @@
diff --git a/docs/objects.inv b/docs/objects.inv
index b788aef..812e906 100644
Binary files a/docs/objects.inv and b/docs/objects.inv differ
diff --git a/docs/searchindex.js b/docs/searchindex.js
index 6435f35..0b302a6 100644
--- a/docs/searchindex.js
+++ b/docs/searchindex.js
@@ -1 +1 @@
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\ No newline at end of file
diff --git a/docs/src/_build/doctrees/environment.pickle b/docs/src/_build/doctrees/environment.pickle
index f132590..2f02bc6 100644
Binary files a/docs/src/_build/doctrees/environment.pickle and b/docs/src/_build/doctrees/environment.pickle differ
diff --git a/docs/src/_build/html/_modules/tp/settings.html b/docs/src/_build/html/_modules/tp/settings.html
index b2ae4a9..345aead 100644
--- a/docs/src/_build/html/_modules/tp/settings.html
+++ b/docs/src/_build/html/_modules/tp/settings.html
@@ -46,14 +46,6 @@
- Contributors
- License
- Requirements
-- Installation
-- Command Line Usage
-- Python Usage
-- Contributing
-- Testing
-- Contributors
-- License
-- Requirements
- Python Package
diff --git a/docs/tp.html b/docs/tp.html
index 75b12e4..6703aef 100644
--- a/docs/tp.html
+++ b/docs/tp.html
@@ -724,6 +724,8 @@ Functions |