Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Replace: np.string_ -> np.byte_ #1010

Open
wants to merge 1 commit into
base: master
Choose a base branch
from
Open

Replace: np.string_ -> np.byte_ #1010

Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
14 changes: 7 additions & 7 deletions src/openfermion/chem/molecular_data.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -708,27 +708,27 @@ def save(self):
# Save geometry (atoms and positions need to be separate):
d_geom = f.create_group("geometry")
if not isinstance(self.geometry, basestring):
atoms = [numpy.string_(item[0]) for item in self.geometry]
atoms = [numpy.byte_(item[0]) for item in self.geometry]
positions = numpy.array([list(item[1]) for item in self.geometry])
else:
atoms = numpy.string_(self.geometry)
atoms = numpy.byte_(self.geometry)
positions = None
d_geom.create_dataset("atoms", data=(atoms if atoms is not None else False))
d_geom.create_dataset("positions", data=(positions if positions is not None else False))
# Save basis:
f.create_dataset("basis", data=numpy.string_(self.basis))
f.create_dataset("basis", data=numpy.byte_(self.basis))
# Save multiplicity:
f.create_dataset("multiplicity", data=self.multiplicity)
# Save charge:
f.create_dataset("charge", data=self.charge)
# Save description:
f.create_dataset("description", data=numpy.string_(self.description))
f.create_dataset("description", data=numpy.byte_(self.description))
# Save name:
f.create_dataset("name", data=numpy.string_(self.name))
f.create_dataset("name", data=numpy.byte_(self.name))
# Save n_atoms:
f.create_dataset("n_atoms", data=self.n_atoms)
# Save atoms:
f.create_dataset("atoms", data=numpy.string_(self.atoms))
f.create_dataset("atoms", data=numpy.byte_(self.atoms))
# Save protons:
f.create_dataset("protons", data=self.protons)
# Save n_electrons:
Expand Down Expand Up @@ -824,7 +824,7 @@ def save(self):
key_list = list(self.general_calculations.keys())
f.create_dataset(
"general_calculations_keys",
data=([numpy.string_(key) for key in key_list] if len(key_list) > 0 else False),
data=([numpy.byte_(key) for key in key_list] if len(key_list) > 0 else False),
)
f.create_dataset(
"general_calculations_values",
Expand Down