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Calculation Editor: Basis Set shown for codes without a basis set (MOPAC, Quantum ESPRESSO) #348

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@ohlincha

Found 2026-10-15 (Linux, test-912 build). The Electronic Structure Editor shows the Basis Set box, greyed out, for MOPAC (built-in minimal basis per Hamiltonian) and Quantum ESPRESSO (plane waves, set by the cutoff in Theory Details). The box is meaningless for both and should be hidden for codes that declare no basis set. The QE help page currently describes it as greyed out and must change with it. Not release-critical.

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  1. ohlincha commented on Oct 18, 2026

    @ohlincha
    CollaboratorAuthor

    Fixed by a0b0aa1 (on wip/930-small, for 9.3): the Basis Set box is not shown for MOPAC or Quantum ESPRESSO. Test: tests/apps/calced_basis_box_test.py (9cfef67).

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