&GLOBAL
  PROJECT 2d_pot
  RUN_TYPE geo_opt
&END GLOBAL

&MOTION
  &GEO_OPT
    MAX_ITER 40
    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 [bohr] 0.0001
        INTERPOLATE_GRADIENT
        &DIMER_VECTOR
          0.1 0.9 0.0
        &END DIMER_VECTOR
        &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
  &EXTERNAL_POTENTIAL
    # FUNCTION -(exp(-((X-4)**2+(Y-1)**2)/5.0)+exp(-((X+1)**2+(Y-1)**2)/5.0))
    # FUNCTION exp(-((X-1)**2+(Y-1)**2))
    # FUNCTION 1./((X-1)**2+(Y-1)**2+10.)
    # FUNCTION -((X-1)**2+5.0*(Y-1)**2)
    DX 1.0E-6
    ERROR_LIMIT 1.0E-12
    # FUNCTION  0.05*cos(sqrt(X**2+Y**2))
    # FUNCTION  -0.5*0.05*(X**2+2.0*Y**2)
    FUNCTION -(exp(-((X-4)**2+(Y-1)**2)/5.0)+exp(-((X+1)**2+(Y-3)**2)/5.0))
  &END EXTERNAL_POTENTIAL
  &MM
    &FORCEFIELD
      &CHARGE
        ATOM Ar
        CHARGE 0.0
      &END CHARGE
      &NONBONDED
        &LENNARD-JONES
          ATOMS Ar Ar
          EPSILON 0.0
          RCUT [angstrom] 10.0
          SIGMA [angstrom] 1.0
        &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
      #   SPLINE_DATA
      #  &END
    &END PRINT
  &END MM
  &SUBSYS
    &CELL
      ABC [bohr] 25.0 25.0 25.0
    &END CELL
    &COORD
      UNIT bohr
      Ar        1.0 1.0 0.0
    &END COORD
    &TOPOLOGY
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
