Commit e0721ca3 authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen
Browse files

fix and re-enable 3d arrays

parent 2f389437
......@@ -145,13 +145,12 @@ def parse(filename):
c(fermilevels, 'eV'))
# Load 3D arrays ("volumetric data")
origin = -0.5 * r.atoms.cell
origin = -0.5 * r.atoms.cell.sum(axis=0)
npoints = np.array(r.density.density.shape[1:])
npoints[~r.atoms.pbc] += 1
displacements = r.atoms.cell / npoints
def add_3d_array(values, kind, unit):
return
with o(p, 'section_volumetric_data'):
p.addArrayValues('volumetric_data_origin',
c(origin, 'angstrom'))
......
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