#CPQA DEPENDS driver.inp
&GLOBAL
  PROGRAM OPTIMIZE_INPUT
  PROJECT FITRES
  RUN_TYPE NONE
  SEED 1
  &TIMINGS
    THRESHOLD 0.000000001
  &END TIMINGS
&END GLOBAL

&EXT_RESTART
  RESTART_FILE_NAME FITIT-optimize-1.restart
&END EXT_RESTART

&OPTIMIZE_INPUT
  ACCURACY 0.001
  MAX_FUN 500
  METHOD FORCE_MATCHING
  STEP_SIZE 0.5
  &FORCE_MATCHING
    GROUP_SIZE 2
    OPTIMIZE_FILE_NAME argon-fit.inp
    REF_CELL_FILE_NAME REF-1.cell
    REF_FORCE_FILE_NAME REF-frc-1.xyz
    REF_TRAJ_FILE_NAME REF-pos-1.xyz
    SHIFT_MM 0.0
    SHIFT_QM 0.0
    &COMPARE_ENERGIES
      &EACH
        POWELL_OPT 5
      &END EACH
    &END COMPARE_ENERGIES
  &END FORCE_MATCHING
  &HISTORY
    &EACH
      POWELL_OPT 5
    &END EACH
  &END HISTORY
  &RESTART
    &EACH
      POWELL_OPT 5
    &END EACH
  &END RESTART
  ! will be randomized by 10%
  ! RANDOMIZE_VARIABLES 10
  &VARIABLE
    LABEL PRM01
    VALUE 119.8
  &END VARIABLE
  &VARIABLE
    LABEL PRM02
    VALUE 3.4
  &END VARIABLE
&END OPTIMIZE_INPUT
