- printf("\tColumns for pull coordinate %d\n", i + 1);
- printf("\t\treaction coordinate: %d\n"
- "\t\tcenter-of-mass of groups: %d\n"
- "\t\treference position column: %s\n",
- 1,
- nColCOMCrd[i],
- (header->bPrintRefValue ? "Yes" : "No"));
+ printf("\tColumn(s) with data for pull coordinate %d are\n", i + 1);
+ if (nColCOMCrd[i] > 0)
+ {
+ const int firstColumnForCOM = nextColumn;
+ const int lastColumnForCOM = firstColumnForCOM + nColCOMCrd[i] - 1;
+ const int columnForThisCoordinate = lastColumnForCOM + 1;
+ printf("\t\treaction coordinate: %d\n"
+ "\t\tcenter-of-mass of groups: %d through %d\n",
+ columnForThisCoordinate,
+ firstColumnForCOM,
+ lastColumnForCOM);
+ nextColumn = columnForThisCoordinate + 1;
+ }
+ else
+ {
+ const int columnForThisCoordinate = nextColumn;
+ printf("\t\treaction coordinate: %d\n"
+ "\t\tcenter-of-mass of groups: No\n",
+ columnForThisCoordinate);
+ ++nextColumn;
+ }
+ if (header->bPrintRefValue)
+ {
+ const int columnForRefValue = nextColumn;
+ printf("\t\treference position column: %d\n", columnForRefValue);
+ ++nextColumn;
+ }
+ else
+ {
+ printf("\t\treference position column: No\n");
+ }