|
My Project
|
This is the complete list of members for Allegro, including all inherited members.
| AllocateUCSpace(size_t comp) (defined in Allegro) | Allegro | inline |
| caseInSensStringCompare(const std::string &str1, const std::string &str2) (defined in Allegro) | Allegro | inline |
| Copy_From_Rigid_Framework_Edges(size_t NFrameworkAtom) (defined in Allegro) | Allegro | inline |
| Copy_To_Rigid_Framework_Edges(size_t NFrameworkAtom) (defined in Allegro) | Allegro | inline |
| CopyAtomsFromFirstUnitcell(Atoms &HostAtoms, size_t comp, int3 NSupercell, PseudoAtomDefinitions &PseudoAtoms, bool *ConsiderThisAdsorbateAtom) (defined in Allegro) | Allegro | inline |
| Count_Edges_Replica(size_t compi, size_t compj, size_t i_start, size_t j_start, bool SameComponent) (defined in Allegro) | Allegro | inline |
| Cutoff (defined in Allegro) | Allegro | |
| Cutoffsq (defined in Allegro) | Allegro | |
| DNN_Molsize (defined in Allegro) | Allegro | |
| dot(double3 a, double3 b) (defined in Allegro) | Allegro | inline |
| GenerateReplicaCells(bool Allocate) (defined in Allegro) | Allegro | inline |
| GenerateUCBox(double *SuperCell, int3 Ncell) (defined in Allegro) | Allegro | inline |
| Get_Neighbor_List_Replica(bool Initialize) (defined in Allegro) | Allegro | inline |
| GetFractionalCoord(double *InverseCell, bool Cubic, double3 posvec) (defined in Allegro) | Allegro | inline |
| GetRealCoordFromFractional(double *Cell, bool Cubic, double3 s) (defined in Allegro) | Allegro | inline |
| GetSQ_From_Cutoff() (defined in Allegro) | Allegro | inline |
| inverse_matrix(double *x, double **inverse_x) (defined in Allegro) | Allegro | inline |
| matrix_determinant(double *x) (defined in Allegro) | Allegro | inline |
| MCEnergyWrapper(size_t comp, bool Initialize, double DNNEnergyConversion) (defined in Allegro) | Allegro | inline |
| Model (defined in Allegro) | Allegro | |
| ModelName (defined in Allegro) | Allegro | |
| NL (defined in Allegro) | Allegro | |
| NReplicacell (defined in Allegro) | Allegro | |
| nstep (defined in Allegro) | Allegro | |
| Predict() (defined in Allegro) | Allegro | inline |
| ReadModel(std::string Name) (defined in Allegro) | Allegro | inline |
| ReplicaAtoms (defined in Allegro) | Allegro | |
| ReplicaBox (defined in Allegro) | Allegro | |
| ReplicateAtomsPerComponent(size_t comp, bool Allocate) (defined in Allegro) | Allegro | inline |
| split(const std::string txt, char ch) (defined in Allegro) | Allegro | inline |
| Split_Tab_Space(std::vector< std::string > &termsScannedLined, std::string &str) (defined in Allegro) | Allegro | inline |
| UCAtoms (defined in Allegro) | Allegro | |
| UCBox (defined in Allegro) | Allegro | |
| WrapSuperCellAtomIntoUCBox(size_t comp) (defined in Allegro) | Allegro | inline |
1.9.8