- changed status to resolved
Box wrap in 2D produces nan values
Issue #136
resolved
The following minimal example illustrates that freud.box.Box.wrap() does not handle wrapping correctly when the box object is set to be 2D:
import freud
import numpy as np
r = np.array([9,11,13],dtype=np.float32)
B = freud.box.Box(Lx=10,Ly=10,is2D=True)
print('Vector r is originally',r)
B.wrap(r)
print('Vector r is wrapped to',r)
# Try specifying Lz
r = np.array([9,11,13],dtype=np.float32)
B = freud.box.Box(Lx=10,Ly=10,Lz=10,is2D=True)
print('Now vector r is originally',r)
B.wrap(r)
print('Now vector r is wrapped to',r)
print('B.Lz =',B.getLz())
This was tested with the latest conda-available build of freud, tagged as version 0.6.1.
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Merged in FixIssue136 (pull request #91)
Fixissue136
→ <<cset f43ee42c5637>>