Now we are comparing float numbers to be exactly the same. Because of that, I was forced to print out energies and distances with three significant figures for tests. Thus, we need some tool to compare float numbers within a specific error that we can explicitly select.
Now we are comparing float numbers to be exactly the same. Because of that, I was forced to print out energies and distances with three significant figures for tests. Thus, we need some tool to compare float numbers within a specific error that we can explicitly select.