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whitespace cleanup

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Axel Kohlmeyer
2017-09-20 11:13:13 -04:00
parent e7d042ba1a
commit ad25a95297
5 changed files with 87 additions and 87 deletions
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2
potentials/Mo_Chen_PRM2017.snap
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@ -1,6 +1,6 @@
# 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_style snap
pair_coeff * * Mo_Chen_PRM2017.snapcoeff Mo Mo_Chen_PRM2017.snapparam Mo

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potentials/Ta06A.snap
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@ -2,7 +2,7 @@
# Definition of SNAP potential Ta_Cand06A
# Assumes 1 LAMMPS atom type
variable zblcutinner equal 4
variable zblcutouter equal 4.8
variable zblz equal 73

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potentials/W_2940_2017_2_He_JW2013.snap
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@ -8,8 +8,8 @@ variable zblz equal 74
# Specify hybrid with SNAP, ZBL, and long-range Coulomb
pair_style hybrid/overlay zbl ${zblcutinner} ${zblcutouter} snap table spline 10000 table spline 10000
pair_coeff 1 1 zbl ${zblz} ${zblz}
pair_coeff * * snap W_2940_2017_2.snapcoeff W W_2940_2017_2.snapparam W NULL
pair_coeff 1 1 zbl ${zblz} ${zblz}
pair_coeff * * snap W_2940_2017_2.snapcoeff W W_2940_2017_2.snapparam W NULL
pair_coeff 2 2 table 1 He_He_JW2013.table HeHe
pair_coeff 1 2 table 2 W_He_JW2013.table WHe
#Hybrid/overlay will take all pair styles and add their contributions equally, order of pair_coeff doesnt matter here