def main():
import matplotlib.pyplot as plt
stdin = sys.stdin
if sys.version_info[0] == 3:
stdin = stdin.buffer
task, data = pickle.load(stdin)
if task == 'eos':
from ase.eos import plot
plot(*data)
elif task == 'neb':
from ase.neb import plot_band_from_fit
plot_band_from_fit(*data)
elif task == 'reciprocal':
from ase.dft.bz import bz_plot
bz_plot(**data)
elif task == 'graph':
from ase.gui.graphs import make_plot
make_plot(show=False, *data)
else:
print('Invalid task {}'.format(task))
sys.exit(17)
# Magic string to tell GUI that things went okay:
print('GUI:OK')
sys.stdout.close()
plt.show()
def plot(self, dimension=3, **plotkwargs):
"""Visualize this bandpath.
Plots the irreducible Brillouin zone and this bandpath."""
import ase.dft.bz as bz
special_points = self.special_points
labelseq, coords = resolve_kpt_path_string(self.path,
special_points)
paths = []
points_already_plotted = set()
for subpath_labels, subpath_coords in zip(labelseq, coords):
subpath_coords = np.array(subpath_coords)
points_already_plotted.update(subpath_labels)
paths.append((subpath_labels, self._scale(subpath_coords)))
# Add each special point as a single-point subpath if they were
# not plotted already:
for label, point in special_points.items():
if label not in points_already_plotted:
paths.append(([label], [self._scale(point)]))
kw = {'vectors': True}
kw.update(plotkwargs)
return bz.bz_plot(self.cell, paths=paths,
points=self.cartesian_kpts(),
pointstyle={'marker': '.'},
**kw)
def main():
import matplotlib.pyplot as plt
task, data = pickle.load(sys.stdin.buffer)
if task == 'eos':
from ase.eos import plot
plot(*data)
elif task == 'neb':
forcefit = data
forcefit.plot()
elif task == 'reciprocal':
from ase.dft.bz import bz_plot
bz_plot(**data)
elif task == 'graph':
from ase.gui.graphs import make_plot
make_plot(show=False, *data)
else:
print('Invalid task {}'.format(task))
sys.exit(17)
# Magic string to tell GUI that things went okay:
print('GUI:OK')
sys.stdout.close()
plt.show()