1# two potential (Nested Monte Carlo) on 3 temperatures and volume move and swaps 2 3&GLOBAL 4 PROJECT H2O_TMC 5 PROGRAM TMC 6 RUN_TYPE TMC 7 PRINT_LEVEL LOW 8 #TRACE 9 WALLTIME 00:01:30 10&END GLOBAL 11&MOTION 12 &TMC 13 GROUP_ENERGY_SIZE 1 14 GROUP_ENERGY_NR 1 15 GROUP_CC_SIZE 0 16 NUM_MC_ELEM 20 17 ENERGY_FILE_NAME H2O_ice.inp 18 NR_TEMPERATURE 3 19 TEMPERATURE 270 330 20 &NMC_MOVES 21 NMC_FILE_NAME H2O_ice_2.inp 22 NR_NMC_STEPS 2 23 &MOVE_TYPE ATOM_TRANS 24 SIZE 0.1 25 PROB 1 26 INIT_ACC_PROB 0.2 27 &END 28 &MOVE_TYPE VOL_MOVE 29 SIZE 0.01 30 PROB 8 31 &END 32 &END NMC_MOVES 33 &MOVE_TYPE PT_SWAP 34 PROB 5 35 &END 36 PRESSURE 0.001 37 NUM_MV_ELEM_IN_CELL 1 38 RND_DETERMINISTIC 42 39 INFO_OUT_STEP_SIZE 10 40 RESTART_OUT 0 41 PRINT_TEST_OUTPUT 42 &END TMC 43&END MOTION 44