From 30d9ffba25b4d62aeb41f22e01c57a21f034feb4 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Tue, 16 Jun 2020 05:13:41 -0400 Subject: [PATCH] add "UNITS:" tag to new potential files --- potentials/InP_JCPA2020.snapcoeff | 2 +- potentials/InP_JCPA2020.snapparam | 3 +-- 2 files changed, 2 insertions(+), 3 deletions(-) diff --git a/potentials/InP_JCPA2020.snapcoeff b/potentials/InP_JCPA2020.snapcoeff index 35f0ab8d42..d4be08e4e2 100644 --- a/potentials/InP_JCPA2020.snapcoeff +++ b/potentials/InP_JCPA2020.snapcoeff @@ -1,4 +1,4 @@ -# DATE: 2020-06-01 CONTRIBUTOR: Mary Alice Cusentino mcusent@sandia.gov CITATION: M.A. Cusentino, M. A. Wood, and A.P. Thompson, "Explicit Multi-element Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems", J. Phys. Chem. A, xxxxxx (2020) +# DATE: 2020-06-01 UNITS: metal CONTRIBUTOR: Mary Alice Cusentino mcusent@sandia.gov CITATION: M.A. Cusentino, M. A. Wood, and A.P. Thompson, "Explicit Multi-element Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems", J. Phys. Chem. A, xxxxxx (2020) 2 241 In 3.81205 1 diff --git a/potentials/InP_JCPA2020.snapparam b/potentials/InP_JCPA2020.snapparam index 83c576f8f4..880ba6671c 100644 --- a/potentials/InP_JCPA2020.snapparam +++ b/potentials/InP_JCPA2020.snapparam @@ -1,4 +1,4 @@ -# DATE: 2020-06-01 CONTRIBUTOR: Mary Alice Cusentino mcusent@sandia.gov CITATION: M.A. Cusentino, M. A. Wood, and A.P. Thompson, "Explicit Multi-element Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems", J. Phys. Chem. A, xxxxxx (2020) +# DATE: 2020-06-01 UNITS: metal CONTRIBUTOR: Mary Alice Cusentino mcusent@sandia.gov CITATION: M.A. Cusentino, M. A. Wood, and A.P. Thompson, "Explicit Multi-element Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems", J. Phys. Chem. A, xxxxxx (2020) # required rcutfac 1.0 @@ -12,4 +12,3 @@ wselfallflag 1 chemflag 1 bnormflag 1 - \ No newline at end of file