forked from lijiext/lammps
10 lines
421 B
Plaintext
10 lines
421 B
Plaintext
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# DATE: 2020-01-31 CONTRIBUTOR: Yunxing Zuo <y9zuo@eng.ucsd.edu> CITATION: Y. Zuo, C. Chen, X, Li, Z. Deng, Y. Chen, J. Behler, G. Csányi, A. V. Shapeev, A. P. Thompson, M. A. Wood, S. P. Ong, "Performance and Cost Assessment of Machine Learning Interatomic Potentials" J. Phys. Chem. A 124, 4, 731-745 (2020)
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# Generated by Materials Virtual Lab
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rcutfac 4.9
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twojmax 8
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rfac0 0.99363
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rmin0 0
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quadraticflag 0
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bzeroflag 0
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