Unverified Commit d84cbe49 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer Committed by GitHub
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Merge pull request #1686 from cusentino/snap-WBe-example

Added W-Be example to example/snap folder
parents 6f06b3ec 3fd43224
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@@ -99,12 +99,11 @@ pour: pouring of granular particles into a 3d box, then chute flow
prd:      parallel replica dynamics of vacancy diffusion in bulk Si
python:   use of PYTHON package to invoke Python code from input script
qeq:      use of QEQ package for charge equilibration
reax:     RDX and TATB models using the ReaxFF
reax:     RDX and TATB and several other models using ReaxFF
rigid:    rigid bodies modeled as independent or coupled
shear:    sideways shear applied to 2d solid, with and without a void
snap:     use of SNAP potential for Ta
snap:     examples for using several bundled SNAP potentials
srd:      stochastic rotation dynamics (SRD) particles as solvent
snap:     NVE dynamics for BCC tantalum crystal using SNAP potential
steinhardt: Steinhardt-Nelson Q_l and W_l parameters usng orientorder/atom
streitz:  Streitz-Mintmire potential for Al2O3
tad:      temperature-accelerated dynamics of vacancy diffusion in bulk Si
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../../potentials/WBe_Wood_PRB2019.snap
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../../potentials/WBe_Wood_PRB2019.snapcoeff
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../../potentials/WBe_Wood_PRB2019.snapparam
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# Demonstrate SNAP Ta potential
# Demonstrate SNAP Mo potential

# Initialize simulation

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