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docs/dev_guide/arch.md
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| When we want to serialize optimized parameters from the generator to a new XML file, we first initialize a `XMLNodeInfo(name:str)` class with the potential name | ||
| We orgnize the forcefield parameters in a ForcefieldTree. This class provides four method to read and write the parameters in XML file. Once you need to develop a new generator in DMFF, the only way you access and modify the parameters is through the ForcefieldTree. |
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We organize the forcefield parameters...
docs/dev_guide/arch.md
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| The name must correspond to the tag to be parsed in the XML file. In the snippet, the name of `HarmonicBondJaxGenerator` is `HarmonicBondForce` to parse the tag in the XML file and store those parameters. The `ff` is the `Hamiltonian` class, which is the top-level class of DMFF， it manages all the generators. The `fftree` is the `ForcefieldTree` class, which is the tree-like storage of ALL force field parameters. The `paramtree` is the `Dict` class, and it stores differentiable parameters of this generator. |
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which is the top-level class of DMFF and manages all the generators.
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