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1 parent 97118d6 commit ce5e9a5Copy full SHA for ce5e9a5
src/nomad_simulations/schema_packages/properties/molecular_orbitals.py
@@ -19,9 +19,7 @@ class MolecularOrbitals(PhysicalProperty):
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Molecular-orbital eigenstates expressed in an atom-centred AO basis.
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Every quantity is either directly mappable to the TREXIO *mo* group or
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- provides auxiliary metadata needed by NOMAD tooling. Shapes are expressed
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- in Fortran/column-major convention to match TREXIO and most quantum-code
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- outputs.
+ provides auxiliary metadata needed by NOMAD tooling.
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The TREXIO format:
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Posenitsky et al., J. Chem. Phys. 158, 174801 (2023)
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