&GLOBAL
  PROJECT argon
  RUN_TYPE geo_opt
&END GLOBAL

&MOTION
  &GEO_OPT
    MAX_ITER 100
    OPTIMIZER CG
    TYPE TRANSITION_STATE
    &CG
      # MAX_STEEP_STEPS 20
      MAX_STEEP_STEPS 0
      &LINE_SEARCH
        TYPE 2PNT
      &END LINE_SEARCH
    &END CG
    &TRANSITION_STATE
      METHOD DIMER
      &DIMER
        ANGLE_TOLERANCE [deg] 0.1
        DR 0.0001
        INTERPOLATE_GRADIENT
        &ROT_OPT
          MAX_ITER 100
          OPTIMIZER CG
          &CG
            # MAX_STEEP_STEPS 100
            MAX_STEEP_STEPS 0
            &LINE_SEARCH
              TYPE 2PNT
            &END LINE_SEARCH
          &END CG
        &END ROT_OPT
      &END DIMER
    &END TRANSITION_STATE
  &END GEO_OPT
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      &CHARGE
        ATOM Ar
        CHARGE 0.0
      &END CHARGE
      &NONBONDED
        # &GENPOT
        #  atoms Ar Ar
        #  FUNCTION (1-exp(-x**2))/x
        #  VARIABLES x
        #   RCUT [angstrom] 7.0
        # &END GENPOT
        &LENNARD-JONES
          ATOMS Ar Ar
          EPSILON 119.8
          RCUT [angstrom] 7.0
          SIGMA [angstrom] 3.4
        &END LENNARD-JONES
      &END NONBONDED
      &SPLINE
        EMAX_SPLINE 10.0
        R0_NB 0.3
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE none
      &END EWALD
    &END POISSON
    &PRINT
      &FF_INFO off
        SPLINE_DATA
      &END FF_INFO
    &END PRINT
  &END MM
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
    &END CELL
    &COORD
      Ar         0.0000000000        0.0000000000        0.0000000000
      # Ar         2.3000000000        0.0000000000        0.0000000000
      Ar         3.90        0.0000000000        0.0000000000
    &END COORD
    &TOPOLOGY
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
