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  • Nick R. Papior's avatar
    Re-runned all tests and updated the reference tests · 0e98f1ad
    Nick R. Papior authored
    - I have re-runned all tests with the new defaults (mix hamiltonian
      and H converge as well.)
    
      A couple of the tests showed changes (see r554) which could
      be explained by a not fully converged system in the mix DM case.
    
      As such it seems these new defaults exhibit superior convergence
      and, hopefully, more consistent results as both the Hamiltonian and
      DM are converged.
    
      It would perhaps be interesting to also converge EDM?
    
    - A couple of the tests was not added in the previous reference frame
      and they are now there.
      I haven't compared these against the old version.
      These tests are:
        anneal-cont.out
        carbon_nanoscroll.out
        dipole_correction.out
        fe_cohp.out
        fe_noncol_kp.out
        fen.out
        force_constants.out
        ge111.out
        h2o-rhog-mixing.out
        h2o_2.out
        pb_bulk.out
        si001.out
        sinw.out
        sinw_2.out
        
    0e98f1ad