Potentials (relentless.model.potential)#
Pair potentials#
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Depletion pair potential. |
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Lennard-Jones 12-6 pair potential. |
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Spline pair potential. |
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Yukawa pair potential. |
Bond potentials#
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Spline bond potentials. |
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Finitely extensible nonlinear elastic (FENE) + Weeks-Chandler-Andersen (WCA) bond interaction. |
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Harmonic bond potential. |
Angle potentials#
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Spline angle potentials. |
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Cosine angle potential. |
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Harmonic angle potential. |
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Harmonic cosine angle potential. |
Dihedral potentials#
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Spline dihedral potentials. |
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OPLS dihedral potential. |
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Ryckaert-Bellemans dihedral potential. |
Developer classes#
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Abstract base class for interaction potential. |
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Parameters for types. |
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Abstract base class for bonded interaction potential. |
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Base class for bonded spline potentials. |
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Abstract base class for an angle potential. |
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Parameters for a angle potential. |
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Abstract base class for a bond potential. |
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Parameters for a bond potential. |
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Abstract base class for an dihedral potential. |
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Parameters for a dihedral potential. |
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Abstract base class for a pair potential. |
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Parameters for pairs of types. |