TCL2016/TCL.input_simp at master · tmarkovich/TCL2016 · GitHub

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name 645
sites 8
temp 295
markov true
secular false
duration 20.0
step 0.00015
sd_bot 0
sd_top 1800
vibronic 890 1 1580 0
vib_reorg 1 38.0 38.0 38.0 38.0 38.0 38.0 38.0 38.0
vib_reorg 2 18.0 18.0 18.0 18.0 18.0 18.0 18.0 18.0
pop_type 0
pop 2
SD_dir 645SDs_simple/
do_pop
ham 1 1 17034.0
ham 2 2 17116.0
ham 3 3 16050.0
ham 4 4 16373.0
ham 5 5 15808.0
ham 6 6 15889.0
ham 7 7 15566.0
ham 8 8 15647.0
ham 2 1 319.4
ham 3 1 -9.6
ham 3 2 43.9
ham 4 1 -43.9
ham 4 2 7.7
ham 4 3 4.3
ham 5 1 20.3
ham 5 2 30.5
ham 5 3 -86.7
ham 5 4 3.4
ham 6 1 25.32
ham 6 2 29.0
ham 6 3 -2.9
ham 6 4 86.2
ham 6 5 7.8
ham 7 1 -46.8
ham 7 2 21.5
ham 7 3 -15.8
ham 7 4 53.8
ham 7 5 11.0
ham 7 6 29.0
ham 8 1 -20.0
ham 8 2 48.0
ham 8 3 49.3
ham 8 4 -14.7
ham 8 5 10.0
ham 8 6 -10.7
ham 8 7 48.0