{"content-origin" "The model driver is implemented based on the `edip` and `edip/multi` pair styles adapted from the LAMMPS software package and `edip/c` pair style for carbon by Nigel Marks and Sam McSweeney and rewritten, amended and updated by Yaser Afshar with performance improvements.\n\nLAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org" "contributor-id" "f9afb302-b4eb-4b55-a4e3-676ba64bfb77" "description" "This model driver provides a C++ implementation of the Environment Dependent Interatomic Potential (EDIP) [1,2] and is based on the source code of the `edip` and `edip/multi` pair styles found in the LAMMPS software package. It additionally features an `edip/c` mode not found in any pair styles in LAMMPS, which is an extension of EDIP to carbon that accounts for pi-bonding effects [2].\n\nThe mode of the driver (`edip` for single-species models, `edip/multi` for multispecies models, or `edip/c` for carbon models with pi-bonding effects) is automatically detected based on the input files provided, which must be ASCII text files. For the `edip` and `edip/multi` modes of operation, the driver expects element and parameter files. The element file contains a unique list of chemical elements. In the case of a single species, it automatically chooses the `edip` mode, whereas if multiple species are present, it automatically selects the `edip/multi` mode. However, this driver only expects a parameter file for the `edip/c` mode, since only pure carbon is supported in that case." "developer" ["649ccd02-42f3-4fd6-8853-a7029f25ee7b" "34ee9961-48db-4a7a-bce1-2d09ab264f27" "ef476661-e46d-49b8-98b8-fca0ef2eb082" "6ee0e203-4072-42b5-97a0-cf937edf5de8" "f657bdab-e46c-48a4-a26b-2f97f270fe23" "adbb4c66-2901-4647-9ac0-5cdd9ca64ad9"] "doi" "10.25950/a6a67b9f" "domain" "openkim.org" "executables" [] "extended-id" "EDIP_LAMMPS__MD_783584031339_000" "implementer" ["f9afb302-b4eb-4b55-a4e3-676ba64bfb77" "f49f263e-2f22-43f8-b642-62abf885f07e" "29efe69f-fb86-4a71-a67a-cd598f3616c9" "83902117-85e1-4b0f-8a38-ce7d43b143a2"] "kim-api-version" "2.2" "maintainer-id" "f9afb302-b4eb-4b55-a4e3-676ba64bfb77" "publication-year" "2021" "simulator-potential-compatibility" [{"compatibility" "full" "simulator-name" "LAMMPS" "simulator-potential" "edip"} {"compatibility" "full" "simulator-name" "LAMMPS" "simulator-potential" "edip/multi"}] "source-citations" [{"author" "Justo, Jo\\~ao F. and Bazant, Martin Z. and Kaxiras, Efthimios and Bulatov, V.V. and Yip, Sidney" "doi" "10.1103/PhysRevB.58.2539" "journal" "Phys. Rev. B" "pages" "2539--2550" "recordkey" "MD_783584031339_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Interatomic potential for silicon defects and disordered phases" "volume" "58" "year" "1998"} {"author" "Marks, N.A." "doi" "10.1103/PhysRevB.63.035401" "journal" "Phys. Rev. B" "pages" "035401" "recordkey" "MD_783584031339_000b" "recordprimary" "recordprimary" "recordtype" "article" "title" "Generalizing the environment-dependent interaction potential for carbon" "volume" "63" "year" "2000"}] "title" "The environment-dependent interatomic potential (EDIP) potential v000"}