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

1,162

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 1,162

Users By Organization Type
Type Users
Unidentified 1,098 (94.49%)
Educational - University 61 (5.25%)
Government Agency 1 (0.09%)
National Lab 1 (0.09%)
Industry 1 (0.09%)
Users by Country of Residence
Country Users
us UNITED STATES 27 (55.1%)
cn CHINA 6 (12.24%)
in INDIA 6 (12.24%)
jp JAPAN 2 (4.08%)
ru RUSSIAN FEDERATION 2 (4.08%)
kr KOREA, REPUBLIC OF 2 (4.08%)
tw TAIWAN 1 (2.04%)
de GERMANY 1 (2.04%)
pk PAKISTAN 1 (2.04%)
hr CROATIA 1 (2.04%)

Simulation Runs

7,773

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 7773
Overview
Average Total
Wall Clock Time 4.73 hours 822.6 days
CPU time 4.09 minutes 11.85 days
Interaction Time 2.31 hours 402.11 days