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Replace internal use of deprecated function
Signed-off-by: Håkon Wiik Ånes <hwaanes@gmail.com>
1 parent 2e5530d commit e778bc5

1 file changed

Lines changed: 2 additions & 2 deletions

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src/diffpy/structure/symmetryutilities.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -601,7 +601,7 @@ def __init__(
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self.pparameters = []
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self.Uparameters = []
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# fill in the values
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sites, ops, mult = expandPosition(spacegroup, xyz, sgoffset, eps)
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sites, ops, mult = expand_position(spacegroup, xyz, sgoffset, eps)
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invariants = _find_invariants(ops)
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# shift self.xyz exactly to the special position
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if mult > 1:
@@ -612,7 +612,7 @@ def __init__(
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if numpy.any(dxyz != 0.0):
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self.xyz = xyz + dxyz
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self.xyz[numpy.fabs(self.xyz) < self.eps] = 0.0
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sites, ops, mult = expandPosition(spacegroup, self.xyz, self.sgoffset, eps)
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sites, ops, mult = expand_position(spacegroup, self.xyz, self.sgoffset, eps)
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invariants = _find_invariants(ops)
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# self.xyz, sites, ops are all adjusted here
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self.eqxyz = sites

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