#CPQA DEPENDS argon-ref.inp
#CPQA INCLUDE argon-fit.inp

&GLOBAL
  PROGRAM OPTIMIZE_INPUT
  RUN_TYPE NONE
  PROJECT FITIT
  SEED 1
&END GLOBAL
&OPTIMIZE_INPUT
   METHOD FORCE_MATCHING
   ACCURACY  0.0002
   STEP_SIZE 0.5
   MAX_FUN   11
   &FORCE_MATCHING
      OPTIMIZE_FILE_NAME argon-fit.inp
      REF_TRAJ_FILE_NAME REF-pos-1.xyz
      REF_FORCE_FILE_NAME REF-frc-1.xyz
      REF_CELL_FILE_NAME REF-1.cell
      FRAME_START 3
      FRAME_STOP 17
      FRAME_STRIDE 3
      GROUP_SIZE 2
      SHIFT_QM 0.0
      SHIFT_MM 0.0
      &COMPARE_ENERGIES
       &EACH
         POWELL_OPT 5
       &END 
      &END
   &END
   &RESTART
    &EACH
      POWELL_OPT 5
    &END 
   &END
   &HISTORY
    &EACH
      POWELL_OPT 5
    &END 
   &END
   ! will be randomized by 10%
   RANDOMIZE_VARIABLES 10
   &VARIABLE
      LABEL PRM01
      VALUE 119.8
   &END
   &VARIABLE
      LABEL PRM02
      VALUE 3.4
   &END
&END

