1c4762a1bSJed Brown# 2c4762a1bSJed Brown# Run with ./extchem -options_file h2_10sp.inp 3c4762a1bSJed Brown# 4c4762a1bSJed Brown# If your machine is not connected to the internet you must obtain the two files below and store 5c4762a1bSJed Brown# them in this directory (otherwise the program will automatically obtain them for you). 6c4762a1bSJed Brown# 7c4762a1bSJed Brown# curl https://combustion.llnl.gov/content/assets/docs/combustion/h2_v1a_therm.txt > h2_v1a_therm.txt 8c4762a1bSJed Brown# curl https://combustion.llnl.gov/content/assets/docs/combustion/h2_v1b_mech.txt > h2_v1b_mech.txt 9c4762a1bSJed Brown# 10c4762a1bSJed Brown# You may need to do 11c4762a1bSJed Brown# cp $PETSC_DIR/$PETSC_ARCH/share/periodictable.dat . 12c4762a1bSJed Brown# 13c4762a1bSJed Brown# 14c4762a1bSJed Brown-chem https://combustion.llnl.gov/content/assets/docs/combustion/h2_v1b_mech.txt 15c4762a1bSJed Brown-thermo https://combustion.llnl.gov/content/assets/docs/combustion/h2_v1a_therm.txt 16c4762a1bSJed Brown 17c4762a1bSJed Brown-initial_species H2,O2,N2 18c4762a1bSJed Brown-initial_mole 1,0.5,1.88 19c4762a1bSJed Brown 20c4762a1bSJed Brown-Tini 1500 21c4762a1bSJed Brown##pressure is in N/m2 22c4762a1bSJed Brown-pressure 1.013e5 23c4762a1bSJed Brown 24c4762a1bSJed Brown-monitor_temp 25c4762a1bSJed Brown 26c4762a1bSJed Brown# the following line is needed because currently the basic adapter takes large steps and steps right over the ignition 27c4762a1bSJed Brown-ts_adapt_type glee 28c4762a1bSJed Brown-ts_arkimex_fully_implicit 29*09cb0f53SBarry Smith-ts_max_snes_failures unlimited 30c4762a1bSJed Brown-ts_adapt_monitor 31c4762a1bSJed Brown-ts_arkimex_type 4 32c4762a1bSJed Brown-ts_max_time 2.0e-4 33c4762a1bSJed Brown 34c4762a1bSJed Brown# the chemistry dictates reasonable bounds on the timestep 35c4762a1bSJed Brown-ts_adapt_dt_max 1e-4 36c4762a1bSJed Brown-ts_adapt_dt_min 1e-9 37c4762a1bSJed Brown 38c4762a1bSJed Brown-snes_max_it 10 39c4762a1bSJed Brown-pc_type lu 40c4762a1bSJed Brown 41c4762a1bSJed Brown#-ts_monitor_lg_solution 42c4762a1bSJed Brown#-draw_pause -2 43c4762a1bSJed Brown#-lg_use_markers false 44c4762a1bSJed Brown#-ts_monitor_lg_solution_variables H2,O2,H2O,CH4,CO,CO2,C2H2,N2 45c4762a1bSJed Brown-ts_monitor_envelope 46