| version 1.11 | version 1.12 |
|---|
| |
| printf("Angle sigs: %d\n", (int)sigsOfAngles.size()); | printf("Angle sigs: %d\n", (int)sigsOfAngles.size()); |
| printf("Dihedral sigs: %d\n", (int)sigsOfDihedrals.size()); | printf("Dihedral sigs: %d\n", (int)sigsOfDihedrals.size()); |
| printf("Improper sigs: %d\n", (int)sigsOfImpropers.size()); | printf("Improper sigs: %d\n", (int)sigsOfImpropers.size()); |
| | printf("Crossterm sigs: %d\n", (int)sigsOfCrossterms.size()); |
| | |
| | |
| for(int i=0; i<g_mol->numAtoms; i++) | for(int i=0; i<g_mol->numAtoms; i++) |