%load_ext autoreload
%autoreload 2
import molsysmt as msm
Get boxfrom lengths and angles#
angles = [[60.0, 60.0, 90.0]] * msm.pyunitwizard.unit('degrees')
lengths = [[2.0, 2.0, 2.0]] * msm.pyunitwizard.unit('nm')
msm.pbc.get_box_from_lengths_and_angles(lengths, angles)
Magnitude | [[[2.0 0.0 0.0] [0.0 2.0 0.0] [1.0 1.0 1.414214]]] |
---|---|
Units | nanometer |