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.h` and definitions to new `src/energy_polymer.cpp`. This will speed up compile times. - [ ] Take a list of molecular molecule names and their radii, e.g.: ``` yaml 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 deterministic unit test of the energy term, e.g. using doctest in the `.cpp` file. - [ ] 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`
Add new energy term to implicitly describe the effect of grafted polymer chains to rigid molecules.
Energy::EnergyTerm.src/energy.hand definitions to newsrc/energy_polymer.cpp. This will speed up compile times..cppfile.examples/folder. This could be a box of spherical colloids. JanF will likely have reference data we can compare against.docs/_docs/energy.mddocs/schema.yml