ReaxFF

By Michael Russo; Adri van Duin1

1. Penn State University

ReaxFF code for simulating atomic systems

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Version 1.9b - published on 06 Aug 2014

doi:10.4231/D3WH2DF8S cite this

This tool is closed source.

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Usage

World usage

Location of all "ReaxFF" Users Since Its Posting

Cumulative Simulation Users

426

9 13 23 25 28 28 29 30 33 34 34 34 34 34 34 34 34 36 36 44 44 47 49 49 49 52 52 53 53 56 58 68 68 71 72 73 73 74 76 78 79 84 88 93 96 97 100 100 100 103 106 108 110 115 124 143 146 150 151 152 154 160 160 160 162 167 172 175 177 181 182 183 185 191 200 206 207 210 219 228 230 234 236 238 240 243 251 255 256 261 265 267 269 270 275 278 280 284 287 288 289 291 296 298 301 306 308 309 315 319 325 332 332 336 338 339 344 347 350 350 351 353 358 359 361 362 367 368 372 374 376 380 387 388 392 393 395 399 403 406 408 414 414 414 415 416 419 423 423 426 426

Simulation Runs

4,743

70 114 521 699 712 713 733 735 749 753 753 753 753 753 753 753 753 771 771 972 976 1025 1067 1107 984 997 1039 1040 1040 1067 1089 1390 1390 1398 1402 1407 1409 1411 1419 1425 1431 1451 1467 1574 1583 1588 1598 1602 1602 1632 1638 1648 1653 1680 1696 2537 2616 2626 2627 2633 2701 2855 2923 2975 3040 3088 3215 3314 3330 3358 3362 3363 3367 3385 3427 3443 3444 3456 3476 3724 3729 3742 3756 3785 3788 3856 4158 4168 4170 4181 4200 4207 4212 4216 4228 4231 4237 4245 4341 4364 4470 4376 4391 4408 4412 4419 4421 4424 4435 4441 4471 4482 4484 4493 4500 4502 4510 4514 4519 4527 4529 4531 4549 4560 4563 4564 4574 4578 4585 4589 4591 4598 4643 4651 4668 4671 4674 4685 4697 4708 4711 4722 4724 4724 4726 4729 4733 4739 4739 4743 4743
Overview
Average Total
Wall Clock Time 1.41 hours 216.79 days
CPU time 23.61 seconds 1.01 days
Interaction Time 27.26 minutes 69.81 days