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    • Micael Oliveira's avatar
      PCMTDLevel keyword was introduced to render more clear the target PCM propagation, · a5b58bda
      Micael Oliveira authored
      either considering the solute-solvent (and/or external field-solvent, for the local field case)
      in equilibrium (default value 'eq'), or not in not in equilibrium. For a nonequilibrium PCM charges propagation,
      we can either set PCMTDLevel to 'neq', an approach assuming a sudden change in the solute density or
      external potential, or 'eom', for which the evolution of polarization charges is history-dependent and follows an equation-of-motion.
      Experimental warning messages were added for PCM propagation using Drude-Lorentz model (PCMEpsilonModel=pcm_drude) and
      PCM charges initialization from input file (PCMEoMInitialCharges/=0), only for PCMTDLevel=eom.
      Internal flag (which_eom) values controlling the kind of propagation (previously strings 'electrons', 'external' and 'justkick') were replaced by numerical integer values.
      New tests for a PCM ground state run with different number of tesserae and different algorithm to calculate the PCM real-space potential were added.
      a5b58bda
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