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Fix Fortran compile error: Remove unnecessary parameter from binding#193

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franzpoeschel wants to merge 1 commit intowavefunction91:skalafrom
franzpoeschel:fix-gauxc_molecule_new_from_atoms-interface
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Fix Fortran compile error: Remove unnecessary parameter from binding#193
franzpoeschel wants to merge 1 commit intowavefunction91:skalafrom
franzpoeschel:fix-gauxc_molecule_new_from_atoms-interface

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@franzpoeschel franzpoeschel commented Apr 13, 2026

Note that this is NOT a PR to the master branch

The Fortran bindings on the Skala branch currently fail compiling:

/home/user/git-repos/cp2k/venv/GauXC/src/fortran-api/molecule.f90:111:62:

  111 |   function gauxc_molecule_new_from_atoms(status, atoms, natoms) result(molecule)
      |                                                              1
Error: Symbol 'natoms' at (1) has no IMPLICIT type; did you mean 'atoms'?

natoms is not used, the atom count is determined from the size of the atoms array.

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