# single potential calculations on one temperature
# also testing the random number generator
# moving all elements
&GLOBAL
  PRINT_LEVEL LOW
  PROGRAM TMC
  PROJECT H2O_TMC
  RUN_TYPE TMC
  WALLTIME 00:10:25
&END GLOBAL

&MOTION
  &TMC
    ENERGY_FILE_NAME H2O_NH4.inp
    ESIMATE_ACC_PROB .TRUE.
    GROUP_CC_SIZE 0
    GROUP_ENERGY_NR 1
    GROUP_ENERGY_SIZE 1
    INFO_OUT_STEP_SIZE 1000
    NUM_MC_ELEM 100
    NUM_MV_ELEM_IN_CELL 0
    PRINT_ONLY_ACC .TRUE.
    PRINT_TEST_OUTPUT
    RESTART_OUT 0
    RND_DETERMINISTIC 42
    TEMPERATURE 330
    #      TASK_TYPE        IDEAL_GAS
    #      &MOVE_TYPE      ATOM_TRANS
    #        SIZE          0.1
    #        INIT_ACC_PROB 0.2
    #      &END
    #      &MOVE_TYPE      MOL_TRANS
    #        SIZE          0.7
    #      &END
    #      &MOVE_TYPE      MOL_ROT
    #        SIZE          24
    #      &END
    &MOVE_TYPE ATOM_SWAP
      ATOMS O H
      ATOMS O N
      PROB 20
    &END MOVE_TYPE
  &END TMC
&END MOTION
