lammps/potentials/Mo_Chen_PRM2017.snap


# DATE: 2017-09-18 CONTRIBUTOR: Chi Chen <chc273@eng.ucsd.edu> CITATION: C. Chen, Z. Deng, R. Tran, H. Tang, I.-H. Chu, S. P. Ong, "Accurate force field for molybdenum by machine learning large materials data" Physical Review Materials 1, 04 3603 (2017)
# Generated by Materials Virtual Lab
# Definition of SNAP potential.
pair_style snap
pair_coeff * * Mo_Chen_PRM2017.snapcoeff Mo_Chen_PRM2017.snapparam Mo
Removed redundant element list from pair_coeff snap syntax 2018-12-04 11:28:01 +08:00
new SNAP potentials and examples 2017-09-20 22:54:30 +08:00			`# DATE: 2017-09-18 CONTRIBUTOR: Chi Chen <chc273@eng.ucsd.edu> CITATION: C. Chen, Z. Deng, R. Tran, H. Tang, I.-H. Chu, S. P. Ong, "Accurate force field for molybdenum by machine learning large materials data" Physical Review Materials 1, 04 3603 (2017)`
			`# Generated by Materials Virtual Lab`
			`# Definition of SNAP potential.`
whitespace cleanup 2017-09-20 23:13:13 +08:00			`pair_style snap`
Removed redundant element list from pair_coeff snap syntax 2018-12-04 11:28:01 +08:00			`pair_coeff * * Mo_Chen_PRM2017.snapcoeff Mo_Chen_PRM2017.snapparam Mo`
new SNAP potentials and examples 2017-09-20 22:54:30 +08:00