These examples demonstrate the use of the ELECTRODE package for constant potential molecular dynamics.

planar/
  data.au-vac -- gold electrodes with vacuum
  in.planar* -- comparison of gold electrodes with vacuum to theoretical capacitance of planar capacitor
    -- 5x, further labeled by long-range solver (ewald / pppm) and boundary correction (ew2d / ew3dc / ffield)
    -- the pppm-ew2d combination would not give correct results and will throw an error if selected
  test.sh -- run all in.planar files and check charge at 1.2V and %difference from theoretical (last column)

graph-il/
  data.graph-il -- graphene electrodes with electrolyte (coarse-grained BMIm-PF6)
  in.conp    -- reference run at constant potential
  in.etypes  -- type-based smart neighborlists
  in.ffield  -- finite field method with fully periodic cell
  in.ramp    -- equal-style ramping potential difference
  in.conq    -- constrained electrode total charges
  in.conq2   -- constrained electrode total charges via dynamically-set potentials
  in.thermo  -- thermalize electrolyte with thermopotentiostat instead of NVT

au-aq/
  data.au-aq -- gold electrodes with electrolyte (SPC water + NaCl)
  in.ffield  -- finite field method with fully periodic cell
  in.tf      -- Thomas-Fermi metallicity model with more delocalized charges

madelung/
  data.au-elyt -- tiny electrodes with two electrolyte atoms in between
  settings.mod -- common settings
  in.*         -- setup KSpace and fix electrode/conp
  plate_cap.py -- compute reference energy and charges from Madelung style sum
  eval.py      -- compare output of reference and Lammps job (used by test.sh)
  test.sh      -- run all in.* files and check charge at 1 V and %difference from theoretical (last column)

piston/
  data.piston -- two electrodes with water
  in.piston   -- equilibrate distance between rigid electrodes

# future work:
  # in.cylinder -- comparison of carbon nanotube to theoretical induced charge for charge near circular conductor