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apply C++11 virtual/override conventions

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This commit is contained in:
Axel Kohlmeyer
2022-09-24 14:48:31 -04:00
parent 1885f7e42d
commit bab115e993
2 changed files with 23 additions and 23 deletions
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16
src/ML-IAP/mliap_model_python.h
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@ -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:
};

30
src/ML-IAP/mliap_unified.h
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@ -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 {