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#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
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
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