//==================== XYZ format ==========================
void System::print_xyz(std::string filename,int frame){
/**
\param[in] filename The name of the file where the info will be trinted out
\param[in] frame The integer index (in MD - the MD step, for instance) to be printed in the label of each record
Print the state of the system into file in XYZ format. Note that this functions will append the output to the
file fileanme, if the latter is not empty. This way, we can print out the whole MD trajectory in a single file.
If this is not what you want, you may need to delete the older version of the file
This version will fold atomic coordinates into 3D box
*/
print_xyz(filename,1,"abc",frame); // by default - fold in 3D
}
void print_xyz(PGM_P const prefix, PGM_P const suffix, const float xyz[]) {
print_xyz(prefix, suffix, xyz[X_AXIS], xyz[Y_AXIS], xyz[Z_AXIS]);
}
