Simpatico
v1.10
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The HarmonicBond interaction implements a simple harmonic bond potential with a nonzero rest length. The potential energy for two covalently bonded particles separated by a distance
is given by
Different values are defined for the parameters and
for each bond type.
Values of the parameters ,
are denoted in the parameter file and source code by array-valued variables named "kappa", and "length", respectively. The parameter file format is:
Both arrays are entered in column form, with one entry per line, with the first entry after the label. The parameter block a system with two bond types (nBondType=2) might thus look like this: