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

Cumulative Simulation Users

47

4 4 5 7 7 7 7 7 10 11 12 14 18 21 21 26 28 29 31 31 32 33 36 38 41 44 45 46 47

Users By Organization Type
Type Users
Unidentified 40 (85.11%)
Educational - University 7 (14.89%)
Users by Country of Residence
Country Users
us UNITED STATES 6 (85.71%)
pk PAKISTAN 1 (14.29%)

Simulation Runs

122

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Overview
Average Total
Wall Clock Time 2.3 hours 10.37 days
CPU time 7.14 seconds 12.86 minutes
Interaction Time 49.44 minutes 3.71 days