#include <math_tools.h>
Public Member Functions | |
| char_table (char *) | |
| Initializes character table object. | |
Data Fields | |
| int ** | ctable |
| int | num_irreps |
| char ** | sym_ops |
| char ** | irrep_labels |
| int * | ops_coeffs |
| int | num_ops |
| int | num_classes |
The character class contains a set of functions for access to point group information.
Definition at line 59 of file math_tools.h.
| char_table::char_table | ( | char * | ptgrp_name | ) |
Initializes character table object.
| ptgrp_name | name of point group /*-------------------------------------------------------------------------- |
Definition at line 27 of file extrema/Math_Tools/char_table.cc.
00027 { 00028 00029 int i; 00030 for(i=0;i<3;++i) 00031 ptgrp_name[i] = toupper(ptgrp_name[i]); 00032 ptgrp = ptgrp_name; 00033 00034 num_irreps = get_num_irreps(); 00035 ctable = (int**) malloc(num_irreps*sizeof(int*)); 00036 for(i=0;i<num_irreps;++i) 00037 ctable[i] = (int*) malloc(num_irreps*sizeof(int)); 00038 get_char_table(); 00039 sym_ops = get_sym_ops(); 00040 irrep_labels = get_irrep_labels(); 00041 ops_coeffs = get_ops_coeffs(); 00042 num_ops = get_num_ops(); 00043 num_classes = get_num_classes(); 00044 }
1.5.4