fixed bug in envir

mathmech/CHANGELOG

@@ -1,4 +1,5 @@
 V.1.2.0 ()
+ * change license from GPL to Beerware
  * changes in the architecture
  + added library
 

mathmech/envir/src/main.c

@@ -190,7 +190,7 @@ _system_info.cell[0], _system_info.cell[1], _system_info.cell[2], ' ' , num_of_m
 // reading coordinates
   print_message (quiet, stdout, log, f_log, 7, input);
   error = 1;
-  error = reading_coords (0, input, tmp_int[0], tmp_int, &_system_info, true_label_mol, 
+  error = reading_coords (1, input, tmp_int[0], tmp_int, &_system_info, true_label_mol, 
                           _atom_info);
   centr_coords = (float *) malloc (3 * 8 * _system_info.num_mol * sizeof (float));
   needed_mol = (int *) malloc (_system_info.num_mol * sizeof (int));

mathmech/mm/include/mathmech/coords.h

@@ -29,8 +29,8 @@ int reading_coords (const int mode, const char *filename, const int type_inter,
  *                 true_label_mol, _atom_info);
  * @endcode
  * 
- * @param mode            mode of reading; '1' is statgen, '2' is envir or 
- *                        frad, '3' is agl
+ * @param mode            mode of reading; '0' is statgen, '1' is envir or 
+ *                        frad, '2' is agl
  * @param filename        input file name
  * @param type_inter      number of needed atoms
  *                        (number of needed molecules)