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

The LAMMPS Data-File Generator generates LAMMPS data files to perform molecular dynamics simulations in LAMMPS using Dreiding or PCFF force field energy terms

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Version 1.7 - published on 03 Sep 2021

doi:10.21981/QJ7D-XJ02 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

1,753

7 24 44 58 75 101 135 160 182 201 221 239 258 278 300 324 343 362 379 398 421 442 462 481 515 534 550 571 597 628 673 718 757 803 835 864 894 926 962 994 1,017 1,060 1,105 1,137 1,176 1,204 1,246 1,277 1,311 1,350 1,380 1,403 1,433 1,463 1,492 1,539 1,571 1,598 1,621 1,647 1,676 1,705 1,723 1,753

Users By Organization Type
Type Users
Unidentified 1,675 (95.55%)
Educational - University 74 (4.22%)
National Lab 2 (0.11%)
Government Agency 1 (0.06%)
Industry 1 (0.06%)
Users by Country of Residence
Country Users
us UNITED STATES 29 (50.88%)
in INDIA 10 (17.54%)
cn CHINA 6 (10.53%)
jp JAPAN 3 (5.26%)
ru RUSSIAN FEDERATION 2 (3.51%)
it ITALY 2 (3.51%)
kr KOREA, REPUBLIC OF 2 (3.51%)
dz ALGERIA 1 (1.75%)
tw TAIWAN 1 (1.75%)
ae UNITED ARAB EMIRATES 1 (1.75%)

Simulation Runs

12,589

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 5581 5795 5978 6104 6288 6513 6740 6880 7198 7447 7599 7915 8225 8484 8855 9054 9288 9465 9724 9987 10176 10333 10715 10984 11189 11355 11605 11906 12214 12367 12589
Overview
Average Total
Wall Clock Time 8.62 hours 2489.72 days
CPU time 6.8 minutes 32.72 days
Interaction Time 3.05 hours 879.84 days