diff --git a/src/ML-IAP/mliap_model_python.h b/src/ML-IAP/mliap_model_python.h index 4243c67332..915e79e53c 100644 --- a/src/ML-IAP/mliap_model_python.h +++ b/src/ML-IAP/mliap_model_python.h @@ -21,20 +21,20 @@ namespace LAMMPS_NS { class MLIAPModelPython : public MLIAPModel { public: MLIAPModelPython(LAMMPS *, char * = nullptr); - ~MLIAPModelPython(); - virtual int get_nparams(); - virtual int get_gamma_nnz(class MLIAPData *); - virtual void compute_gradients(class MLIAPData *); - virtual void compute_gradgrads(class MLIAPData *); - virtual void compute_force_gradients(class MLIAPData *); - virtual double memory_usage(); + ~MLIAPModelPython() override; + int get_nparams() override; + int get_gamma_nnz(class MLIAPData *) override; + void compute_gradients(class MLIAPData *) override; + void compute_gradgrads(class MLIAPData *) override; + void compute_force_gradients(class MLIAPData *) override; + double memory_usage() override; void connect_param_counts(); // If possible convert this to protected/private and // and figure out how to declare cython fn // load_from_python as a friend. int model_loaded; protected: - virtual void read_coeffs(char *); + void read_coeffs(char *) override; private: }; diff --git a/src/ML-IAP/mliap_unified.h b/src/ML-IAP/mliap_unified.h index 78987ad0d8..adc900d8c1 100644 --- a/src/ML-IAP/mliap_unified.h +++ b/src/ML-IAP/mliap_unified.h @@ -25,12 +25,12 @@ namespace LAMMPS_NS { class MLIAPDummyDescriptor : public MLIAPDescriptor { public: MLIAPDummyDescriptor(LAMMPS *); - ~MLIAPDummyDescriptor(); - virtual void compute_descriptors(class MLIAPData *); - virtual void compute_forces(class MLIAPData *); - virtual void compute_force_gradients(class MLIAPData *); - virtual void compute_descriptor_gradients(class MLIAPData *); - virtual void init(); + ~MLIAPDummyDescriptor() override; + void compute_descriptors(class MLIAPData *) override; + void compute_forces(class MLIAPData *) override; + void compute_force_gradients(class MLIAPData *) override; + void compute_descriptor_gradients(class MLIAPData *) override; + void init() override; void set_elements(char **, int); PyObject *unified_interface; // MLIAPUnifiedInterface @@ -39,19 +39,19 @@ class MLIAPDummyDescriptor : public MLIAPDescriptor { class MLIAPDummyModel : public MLIAPModel { public: - MLIAPDummyModel(LAMMPS *, char * = NULL); - ~MLIAPDummyModel(); - virtual int get_nparams(); - virtual int get_gamma_nnz(class MLIAPData *); - virtual void compute_gradients(class MLIAPData *); - virtual void compute_gradgrads(class MLIAPData *); - virtual void compute_force_gradients(class MLIAPData *); - virtual double memory_usage(); + MLIAPDummyModel(LAMMPS *, char * = nullptr); + ~MLIAPDummyModel() override; + int get_nparams() override; + int get_gamma_nnz(class MLIAPData *) override; + void compute_gradients(class MLIAPData *) override; + void compute_gradgrads(class MLIAPData *) override; + void compute_force_gradients(class MLIAPData *) override; + double memory_usage() override; PyObject *unified_interface; protected: - virtual void read_coeffs(char *); + void read_coeffs(char *) override; }; struct MLIAPBuildUnified_t {