LAMMPS Data-File Generator

By Carlos Miguel Patiño1, Lorena Alzate-Vargas2, Chunyu Li2, Benjamin P Haley2, Alejandro Strachan2

1. Universidad de los Andes 2. Purdue University

This tool generates all necessary input files for LAMMPS simulations of molecular systems starting with an atomistic structure.

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Version 1.6.1 - published on 04 May 2020

doi:10.21981/FNVX-6E26 cite this

Open source: license | download

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Usage

World usage

Location of all "LAMMPS Data-File Generator" Users Since Its Posting

Cumulative Simulation Users

765

7 24 44 58 75 101 135 160 182 201 221 239 258 278 300 324 343 362 379 398 421 442 462 481 515 534 550 571 597 628 673 718 757 765

Users By Organization Type
Type Users
Unidentified 711 (92.94%)
Educational - University 52 (6.8%)
National Lab 1 (0.13%)
Industry 1 (0.13%)
Users by Country of Residence
Country Users
us UNITED STATES 23 (54.76%)
in INDIA 5 (11.9%)
cn CHINA 5 (11.9%)
kr KOREA, REPUBLIC OF 2 (4.76%)
jp JAPAN 2 (4.76%)
ae UNITED ARAB EMIRATES 1 (2.38%)
ru RUSSIAN FEDERATION 1 (2.38%)
ie IRELAND 1 (2.38%)
br BRAZIL 1 (2.38%)
it ITALY 1 (2.38%)

Simulation Runs

5,343

36 141 276 394 511 621 786 972 1080 1340 1462 1642 1790 1940 2026 2188 2421 2555 2674 2788 2917 3133 3303 3423 3641 3837 3937 4054 4210 4339 4634 5077 5301 5343
Overview
Average Total
Wall Clock Time 3.44 hours 411.41 days
CPU time 4.47 minutes 8.92 days
Interaction Time 2.28 hours 273.27 days