Add option to set data type in torchann

zwpku · Aug 30, 2023 · d2e34ea · d2e34ea
1 parent 94034f8
commit d2e34ea
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/src/colvarcomp.h b/src/colvarcomp.h
@@ -1778,8 +1778,9 @@ class colvar::torchANN
 {
 protected:
     torch::jit::script::Module nn;
-    /// the index of nn output components
+    /// the index of nn output component
     size_t m_output_index;
+    bool use_double_input;
     // 1d tensor, concatenation of values of sub-cvcs
     torch::Tensor input_tensor;
     torch::Tensor nn_outputs;