Merge remote-tracking branch 'origin/mdeval_dev' into mdeval_dev
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commit
a7da9d7ec8
@ -565,7 +565,6 @@ def normal_vectors(
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vec = np.cross(vectors_a, vectors_b)
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vec = np.cross(vectors_a, vectors_b)
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if normed:
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if normed:
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vec /= np.linalg.norm(vec, axis=-1).reshape(-1, 1)
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vec /= np.linalg.norm(vec, axis=-1).reshape(-1, 1)
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vec.reference = coords_a
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return vec
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return vec
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@ -8,20 +8,6 @@ from itertools import product
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from .logging import logger
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from .logging import logger
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def pbc_diff_old(v1, v2, box):
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"""
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Calculate the difference of two vestors, considering optional boundary conditions.
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"""
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if box is None:
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v = v1 - v2
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else:
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v = v1 % box - v2 % box
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v -= (v > box / 2) * box
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v += (v < -box / 2) * box
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return v
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def pbc_diff(v1, v2=None, box=None):
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def pbc_diff(v1, v2=None, box=None):
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if box is None:
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if box is None:
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out = v1 - v2
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out = v1 - v2
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