.. _`ex:QNML-HAE`: QNML fit in HEA --------------- Here we provide an example of input file to perform quadratic noise ML (QNML) fit for Ta-Ti-V-W high entropy alloy (HEA). The relevant files are provided in ``examples/qnml_hea_bso4``. For the models like QNML we recommend setting ``mld_fit_type=4``, which uses SVD with rank estimation. Other available settings for ``mld_fit_type`` can be found in Section `3.1 <#sec:keywords>`__. .. code-block:: fortran &input_ml debug=.false. !ML model ml_type=0 !set 0 to perform the fit using basis functions mld_order=2 !set 2 for quadratic regression mld_type_quadratic=1 !set 1 for QNML; 2 for conventional QML mld_fit_type=4 !lapack full SVD with rank estimation desc_forces=.true. !set true to fit the forces weighted=.true. !set true for multicomponent systems fix_no_of_elements=4 !number of chemical species in the system !system composition, ordered as in DB files chemical_elements=" Ta Ti V W " !weights applied for each element. Keep close to 1 weight_per_element=" 1.56 0.41 0.44 1.59 " !Descriptor settings r_cut=4.7d0 !set the cutoff distace Rc descriptor_type=9 !set 9 for bispectrum SO4 j_max=3.5 !angular moment for bispectrum SO4 &end