Converting numpy arrays of coordinates of different configuration of molecules to an xyz.file efficiently
I generated sets of xyz coordinates for four atoms in two diatomic molecules’ dimers. where each of Al1, F1, Al2, F2 have their coordinates x,y and z coordinates in a separate array. each array is 33177600 long meaning I have 33177600 configurations. I want to efficiently generate an xyz file that contains the coordinates of all the configurations.