LAMMPS driver tool for potential calibration

By Saaketh Desai1, Alejandro Strachan1

1. Purdue University

Calculates basic properties of interest with a given interatomic potential and is used to drive the calibration of the potential.

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Version 1.0 - published on 24 Feb 2019

doi:10.21981/9XQ9-K306 cite this

Open source: license | download

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Usage

World usage

Location of all "LAMMPS driver tool for potential calibration" Users Since Its Posting

Simulation Users

5

4 4 5

Users By Organization Type
Type Users
Educational - University 3 (60%)
Unidentified 2 (40%)
Users by Country of Residence
Country Users
us UNITED STATES 3 (100%)

Simulation Runs

50

44 47 50
Overview
Average Total
Wall Clock Time 27.42 minutes 1.22 days
CPU time 2.66 seconds 2.84 minutes
Interaction Time 11.39 minutes 12.15 hours