8 lines
405 B
Plaintext
8 lines
405 B
Plaintext
tabulate_long_range 10000 ! denotes the granularity of long range tabulation, 0 means no tabulation
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nbrhood_cutoff 4.5 ! near neighbors cutoff for bond calculations in A
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hbond_cutoff 6.0 ! cutoff distance for hydrogen bond interactions
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bond_graph_cutoff 0.3 ! bond strength cutoff for bond graphs
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thb_cutoff 0.001 ! cutoff value for three body interactions
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