Installation guide
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Cartesian coordinates
Cartesian
xyz_functions
chemcoord.xyz_functions.interpolate
chemcoord.xyz_functions.isclose
chemcoord.xyz_functions.allclose
chemcoord.xyz_functions.concat
chemcoord.xyz_functions.to_multiple_xyz
chemcoord.xyz_functions.read_multiple_xyz
chemcoord.xyz_functions.write_molden
chemcoord.xyz_functions.to_molden
chemcoord.xyz_functions.read_molden
chemcoord.xyz_functions.view
chemcoord.xyz_functions.apply_grad_zmat_tensor
chemcoord.xyz_functions.get_rotation_matrix
chemcoord.xyz_functions.get_kabsch_rotation
chemcoord.xyz_functions.orthonormalize_righthanded
Symmetry
Internal coordinates
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ChemCoord
Documentation
Cartesian coordinates
chemcoord.xyz_functions.write_molden
View page source
chemcoord.xyz_functions.write_molden
chemcoord.xyz_functions.
write_molden
(
*
args
,
**
kwargs
)
[source]
Deprecated, use
to_molden()