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

29

4 4 5 7 7 7 7 7 10 11 12 14 18 21 21 26 28 29

Users By Organization Type
Type Users
Unidentified 24 (82.76%)
Educational - University 5 (17.24%)
Users by Country of Residence
Country Users
us UNITED STATES 5 (100%)

Simulation Runs

102

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Overview
Average Total
Wall Clock Time 1.52 hours 5.95 days
CPU time 8.21 seconds 12.86 minutes
Interaction Time 56.25 minutes 3.67 days