#ifndef CLUSTERS_H #define CLUSTERS_H //// START: Clusters routines void Clusters_Get6Z_C2v(int f) ; // Detect 6Z clusters from 2 5A clusters void Clusters_Get7K(int f) ; // Detect 7K clusters from 2 5A clusters void Clusters_Get8A_D2d(int f) ;// Detect 8A D2d clusters void Clusters_Get8B_Cs(int f) ;// Detect 8B Cs clusters void Clusters_Get8K(int f) ; // Detect 8K clusters void Clusters_Get9A_D3h(int f) ; // Detect 9A D3h clusters void Clusters_Get9B_10B_11B_11E_12D(int f) ; // Detect 9B, 10B, 11A, 11E & 12D void Clusters_Get10B_C3v(int f, int i, int j, char *ach, char *ach_cen, char *ach_shell, char *ach1, char *ach1_cen, char *ach1_shell) ; // Return 1 if 9B is also 10B cluster int Clusters_Get11B_C2v(int f, char *ach, char *ach_cen, char *ach_shell) ;// Detect 11B C2v clusters int Clusters_Get11W_Cs(int f, char *ach, char *ach_cen, char *ach_shell) ; // Detect 11W C2s clusters void Clusters_Get11E_12D(int f, int i, int j, int sp1, int sp2i, int sp2j, char *ach1, char *ach2) ; // Returns number of 11Es for a single 9B int Clusters_Get12D_D2d(int f, int i, int j, int k, int sp1, int sp2, char *ach) ; // Return 1 if 12B is also 11E void Clusters_Get9K_10K(int f) ;// Detect 9K & 10K clusters int Clusters_Get10K(int f, char *ach, char *ach_cen, char *ach_shell) ;// Detect 10K clusters void Clusters_Get10A_C3v(int f) ;// Detect 10A D4d clusters void Clusters_Get10W(int f) ;// Detect 10W clusters void Clusters_Get11A_12K(int f) ;// Detect 11A D4d & 12K clusters int Clusters_Get12K(int f, int SP3_1, int SP3_2, int SP3_3, char *ach, char *ach_cen, char *ach_shell) ; // Detect 12K clusters void Clusters_Get11C_12A(int f) ;// Detect 11C Cs & 12A C2v clusters int Clusters_Get12A_C2v(int f, char *ach, char *ach_cen, char *ach_shell) ;// Return 1 if 11C C2v is also 12A C2v void Clusters_Get11F_12E_13K(int f) ; // Detect 11F C2v & 12E 3h int Clusters_Get12E_D3h(int f, int j, char *ach) ; // Return 1 is 11F is also 12E int Clusters_Get13K(int f, int sp3c_i, int sp3c_j, int the6A_i, char *ach, char *ach_cen, char *ach_shell) ; // Detect 13A clusters void Clusters_Get12B_13A(int f) ;// Detect 12B & 13A D5h clusters together void Clusters_Get13B_D5h(int f) ; // Detect 13B D5h clusters, i.e. twisted icosahedra void Clusters_GetFCC(int f) ; // Detect 13 particle FCC clusters void Clusters_GetHCP(int f) ; // Detect 13 particle HCP clusters void Clusters_GetBCC_9(int f) ; void Clusters_GetBCC_15(int f) ; // Detect 15 particle BCC clusters #endif