1# single potential calculations on one temperature
2# also testing the random number generator
3# moving all elements
4
5&GLOBAL
6  PROJECT H2O_TMC
7  PROGRAM TMC
8  RUN_TYPE TMC
9  PRINT_LEVEL LOW
10  WALLTIME 00:10:25
11&END GLOBAL
12&MOTION
13  &TMC
14      GROUP_ENERGY_SIZE 1
15      GROUP_ENERGY_NR 1
16      GROUP_CC_SIZE 0
17      NUM_MC_ELEM 100
18      ENERGY_FILE_NAME H2O_NH4.inp
19      TEMPERATURE 330
20#      TASK_TYPE        IDEAL_GAS
21#      &MOVE_TYPE      ATOM_TRANS
22#        SIZE          0.1
23#        INIT_ACC_PROB 0.2
24#      &END
25#      &MOVE_TYPE      MOL_TRANS
26#        SIZE          0.7
27#      &END
28#      &MOVE_TYPE      MOL_ROT
29#        SIZE          24
30#      &END
31      &MOVE_TYPE ATOM_SWAP
32        ATOMS O H
33        ATOMS O N
34        PROB  20
35      &END
36      NUM_MV_ELEM_IN_CELL 0
37      RND_DETERMINISTIC 42
38      ESIMATE_ACC_PROB .TRUE.
39      INFO_OUT_STEP_SIZE 1000
40      RESTART_OUT 0
41      PRINT_ONLY_ACC .TRUE.
42      PRINT_TEST_OUTPUT
43  &END TMC
44&END MOTION
45