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fixed docstring
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svandenhaute committed Apr 23, 2021
1 parent bcb2f0e commit fd2b426
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Showing 2 changed files with 1 addition and 2 deletions.
1 change: 0 additions & 1 deletion openyaff/tests/test_utils.py
Expand Up @@ -20,7 +20,6 @@ def test_transform_lower_triangular():
trial *= np.sign(np.linalg.det(trial))
assert np.linalg.det(trial) > 0
pos = np.random.uniform(-100, 100, size=(10, 3))
manual = np.linalg.cholesky(trial @ trial.T)
transform_lower_triangular(pos, trial) # in-place
# comparison with cholesky made inside transform_lower_triangular

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2 changes: 1 addition & 1 deletion openyaff/utils.py
Expand Up @@ -90,7 +90,7 @@ def transform_lower_triangular(pos, rvecs, reorder=False):


def transform_symmetric(pos, rvecs):
"""Transforms coordinate axes such that cell matrix is lower diagonal
"""Transforms coordinate axes such that cell matrix is symmetric
Parameters
----------
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