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Description
Add new energy term to implicitly describe the effect of grafted polymer chains to rigid molecules.
- Add new energy term inheriting from
Energy::EnergyTerm.- Add declarations for
src/energy.hand definitions to newsrc/energy_polymer.cpp. This will speed up compile times. - Take a list of molecular molecule names and their radii, e.g.:
energy: - implicit_polymer: molecules: ["colloid1", "colloid2"] radii: [20.0, 30.0] polymer: {stiffness: 20.0, length: 10, molarity: 0.1}
- Take polymer details (stiffness, length, ...)
- Add declarations for
- Add deterministic unit test of the energy term, e.g. using doctest in the
.cppfile. - Add test to
examples/folder. This could be a box of spherical colloids. JanF will likely have reference data we can compare against. - Describe energy term in
docs/_docs/energy.md - Add energy term to
docs/schema.yml
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