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votca 2025.1-dev
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Classes | |
| struct | element_t |
Public Member Functions | |
| Map_Sphere ()=default | |
| void | Apply (const BoundaryCondition &) override |
| virtual void | Initialize (const Molecule *in, Bead *out, tools::Property *opts_bead, tools::Property *opts_map) override |
| Public Member Functions inherited from votca::csg::BeadMap | |
| BeadMap ()=default | |
| virtual | ~BeadMap ()=default |
Protected Member Functions | |
| void | AddElem (const Bead *in, double weight, double force_weight) |
Protected Attributes | |
| std::vector< element_t > | matrix_ |
| Protected Attributes inherited from votca::csg::BeadMap | |
| const Molecule * | in_ |
| Bead * | out_ |
| tools::Property * | opts_map_ |
| tools::Property * | opts_bead_ |
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default |
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protected |
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overridevirtual |
Safety check, if box is not open check if the bead is larger than the boundaries
Implements votca::csg::BeadMap.
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overridevirtual |
Implements votca::csg::BeadMap.
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protected |