Ta06A.snapparam
07554c8efe48efficient_neuronet

Ta06A.snapparam
View Options

			# DATE: 2014-09-05 CONTRIBUTOR: Aidan Thompson athomps@sandia.gov CITATION: Thompson, Swiler, Trott, Foiles and Tucker, arxiv.org, 1409.3880 (2014)

			# LAMMPS SNAP parameters for Ta_Cand06A

			# required
			rcutfac 4.67637
			twojmax 6

			# optional

			gamma 1
			rfac0 0.99363
			rmin0 0
			diagonalstyle 3