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Removed species check from coulomb matrix.
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lauri-codes committed May 13, 2024
1 parent 397a69b commit 9d53126
Showing 1 changed file with 1 addition and 6 deletions.
7 changes: 1 addition & 6 deletions dscribe/descriptors/coulombmatrix.py
Original file line number Diff line number Diff line change
Expand Up @@ -14,15 +14,10 @@
limitations under the License.
"""
import numpy as np

from ase import Atoms
import ase.geometry.cell

import sparse

from dscribe.descriptors.descriptormatrix import DescriptorMatrix
from dscribe.utils.dimensionality import is1d

import dscribe.ext


Expand Down Expand Up @@ -130,7 +125,7 @@ def create_single(self, system):
"""
# Validate and normalize system
positions = self.validate_positions(system.get_positions())
atomic_numbers = self.validate_atomic_numbers(system.get_atomic_numbers())
atomic_numbers = system.get_atomic_numbers()
pbc = self.validate_pbc(system.get_pbc())
cell = self.validate_cell(system.get_cell(), pbc)

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