1# H2O ice structure with 2 potential (exact and approimate)
2# using moves: atom/molecule displacement, molecule rotation within sub box
3# on one temperature
4
5&GLOBAL
6  PROJECT H2O_TMC
7  PROGRAM TMC
8  RUN_TYPE TMC
9  PRINT_LEVEL LOW
10  #TRACE
11  WALLTIME 00:10:25
12&END GLOBAL
13&MOTION
14  &TMC
15      GROUP_ENERGY_SIZE 1
16      GROUP_ENERGY_NR   1
17      GROUP_CC_SIZE     0
18      NUM_MC_ELEM       15
19      ENERGY_FILE_NAME  H2O_ice.inp
20      TEMPERATURE       330
21      &NMC_MOVES
22        NMC_FILE_NAME H2O_ice_2.inp
23        NR_NMC_STEPS  3
24        &MOVE_TYPE      ATOM_TRANS
25          SIZE          0.1
26          PROB          1
27          INIT_ACC_PROB 0.2
28        &END
29        &MOVE_TYPE      MOL_TRANS
30          SIZE          0.05
31          PROB          1
32        &END
33        &MOVE_TYPE      MOL_ROT
34          SIZE          9
35          PROB          1
36        &END
37      &END NMC_MOVES
38      SUB_BOX           5.0
39      NUM_MV_ELEM_IN_CELL 0
40      RND_DETERMINISTIC 42
41      ESIMATE_ACC_PROB .TRUE.
42      INFO_OUT_STEP_SIZE 1
43      RESTART_OUT 0
44      PRINT_ONLY_ACC .TRUE.
45      PRINT_TEST_OUTPUT
46  &END TMC
47&END MOTION
48