def from_cube(cls, filename, spin='total'):
"""
Read real space density to CUBE file ``filename``.
Return new :class:`Density` instance.
"""
if spin != 'total':
raise ValueError('Argument "spin" should be "total"')
structure, mesh, datar = cube.cube_read_structure_mesh_data(file=filename)
return cls(nspinor=1, nsppol=1, nspden=1, datar=datar, structure=structure, iorder="c")
def __init__(self, filepath):
from abipy.iotools.cube import cube_read_structure_mesh_data
super(CubeFile, self).__init__(filepath)
self.structure, self.mesh, self.data = cube_read_structure_mesh_data(
self.filepath)
def from_cube(cls, filename, spin='total'):
if spin != 'total':
raise ValueError('Argument "spin" should be "total"')
structure, mesh, data = cube.cube_read_structure_mesh_data(file=filename)
return cls(nspinor=1, nsppol=1, nspden=1, rhor=data, structure=structure, iorder="c")
def from_cube(cls, filename, spin='total'):
if spin != 'total':
raise ValueError('Argument "spin" should be "total"')
structure, mesh, data = cube.cube_read_structure_mesh_data(file=filename)
return cls(nspinor=1, nsppol=1, nspden=1, rhor=data, structure=structure, iorder="c")
def __init__(self, filepath):
from abipy.iotools.cube import cube_read_structure_mesh_data
super(CubeFile, self).__init__(filepath)
self.structure, self.mesh, self.data = cube_read_structure_mesh_data(self.filepath)