ALLOWATOMS=n
			

Description

Memory to hold the geometry and related quantities is allocated dynamically. To do this, AMPAC must read ahead to count the number of atoms in the file, allocate the memory, and then reread the geometry into the allocated arrays. All of this should happen correctly without any user intervention. If AMPAC should fail to allocate for all of the atoms in the file, it will stop and print a message indicating that you should use this keyword. In this case, add this keyword to the data file with n as the number of atoms in the file. This keyword is only for emergency use and should not be used otherwise.