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Removed unneccessary instances of _lightweight_mode arguments
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UlrikFriisJensen committed Nov 1, 2023
1 parent fb2cfcf commit 53d6799
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions debyecalculator/debye_calculator.py
Original file line number Diff line number Diff line change
Expand Up @@ -177,7 +177,7 @@ def _initialise_structures(
# If cif, check for radii and generate particles
if structure_ext == 'cif':
if radii is not None:
ase_structures, _ = self.generate_nanoparticles(structure_path, radii, disable_pbar=disable_pbar)
ase_structures, _ = self.generate_nanoparticles(structure_path, radii, disable_pbar=disable_pbar, _lightweight_mode=self._lightweight_mode)
self.num_structures = len(ase_structures)
else:
raise ValueError('FAILED: When providing .cif data file, please provide radii (Union[List[float], float]) to generate from.')
Expand Down Expand Up @@ -313,7 +313,7 @@ def iq(
raise ValueError("batch_size must be non-negative.")

# Initialise structure
self._initialise_structures(structure_path, radii, disable_pbar = True, _lightweight_mode=self._lightweight_mode)
self._initialise_structures(structure_path, radii, disable_pbar = True)

if self.profile:
self.profiler.time('Setup structures and form factors')
Expand Down Expand Up @@ -523,7 +523,7 @@ def _get_all(
"""

# Initialise structure
self._initialise_structures(structure_path, radii, disable_pbar = True, _lightweight_mode=self._lightweight_mode)
self._initialise_structures(structure_path, radii, disable_pbar = True)

# Calculate I(Q) for all initialised structures
iq_output = []
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