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Collective Variables Module - Developer Documentation
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Public Member Functions | |
| neuralNetworkCompute (const std::vector< denseLayer > &dense_layers) | |
| bool | addDenseLayer (const denseLayer &layer) |
| const std::vector< double > & | input () const |
| std::vector< double > & | input () |
| void | compute () |
| compute the values and the gradients of all output nodes | |
| double | getOutput (const size_t i) const |
| double | getGradient (const size_t i, const size_t j) const |
| const denseLayer & | getLayer (const size_t i) const |
| get a specified layer | |
| size_t | getNumberOfLayers () const |
| get the number of layers | |
Private Attributes | |
| std::vector< denseLayer > | m_dense_layers |
| std::vector< double > | m_input |
| std::vector< std::vector< double > > | m_layers_output |
| temporary output for each layer, useful to speedup the gradients' calculation | |
| std::vector< std::vector< std::vector< double > > > | m_grads_tmp |
| std::vector< std::vector< double > > | m_chained_grad |