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Gromacs
2025.4
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#include <gromacs/applied_forces/nnpot/nnpot.h>
Information about the NNPot module.
Provides name and method to create a neural network (NN) potential module.
Static Public Member Functions | |
| static std::unique_ptr< IMDModule > | create () |
| Creates a module for applying forces derived from a neural network potential. | |
Static Public Attributes | |
| static const std::string | name_ = "nnpot" |
| The name of the module. | |
1.8.5