README
6864dfa2d184efficient_neuronet

README
View Options

			NOTE: most of these examples are provided to demonstrate the
			functionality of pEFF, i.e. as illustrative examples, and should not
			be used w/out including the proper equilibration procedures, or data
			files with unit cell sizes appropriate for minimum image calculations.
			Also, most of the electron masses are set to 1, instead of the true
			electron mass in amu. If the electron mass is set to the true value,
			the recommended integration time step should be 0.0001 (i.e. need to
			change it with the "timestep 0.0001" command)

			For more details, please contact the author at
			Andres Jaramillo-Botero, ajaramil@wag.caltech.edu