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

7

4 4 5 7 7 7

Users By Organization Type
Type Users
Educational - University 4 (57.14%)
Unidentified 3 (42.86%)
Users by Country of Residence
Country Users
us UNITED STATES 4 (100%)

Simulation Runs

58

44 47 51 55 58 58
Overview
Average Total
Wall Clock Time 26.72 minutes 1.26 days
CPU time 2.75 seconds 3.12 minutes
Interaction Time 11.63 minutes 13.18 hours