Jump to: Models | Files

ForcesNumerDeriv__VC_710586816390_003

Title
A single sentence description.
Verification check of forces via numerical differentiation (Richardson extrapolation technique) v003
Description Comparison of the analytical forces obtained from the model with forces computed by numerical differentiation using Richardson extrapolation for a randomly distorted non-periodic structure based off the equilibrium face-centered cubic (fcc) structure. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files.
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Ellad B. Tadmor
Maintainer Ellad B. Tadmor
Developer Ellad B. Tadmor
Published on KIM 2019
How to Cite

This Verification Check is archived in OpenKIM [1-3].

[1] Tadmor EB. Verification check of forces via numerical differentiation (Richardson extrapolation technique) v003. OpenKIM; 2019. doi:10.25950/6ae3d5ed

[2] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[3] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
VC_710586816390_003
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
ForcesNumerDeriv__VC_710586816390_003
DOI 10.25950/6ae3d5ed
https://doi.org/10.25950/6ae3d5ed
https://commons.datacite.org/doi.org/10.25950/6ae3d5ed
KIM Item TypeVerification Check
Properties
Properties as defined in kimspec.edn.
KIM API Version2.0
Simulator Name
The name of the simulator as defined in kimspec.edn.
ase
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python
Previous Version ForcesNumerDeriv__VC_710586816390_002


Narrow species selection:

Begin typing to select species to narrow the selection; multiple species may be selected.




Model Error Categories Link to Error page
EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000 other view
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001 other view
MEAM_LAMMPS_AsadiZaeemNouranian_2015_Ni__MO_700541006254_001 other view
MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_001 other view
MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_002 other view
MEAM_LAMMPS_EtesamiBaskesLaradji_2018_PbSn__MO_162736908871_002 other view
MEAM_LAMMPS_GaoOteroAouadi_2013_AgTaO__MO_112077942578_001 other view
MEAM_LAMMPS_JeongParkDo_2018_PdCo__MO_101997554790_001 other view
MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_002 other view
MEAM_LAMMPS_JeongParkDo_2018_PdMo__MO_356501945107_001 other view
MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_001 other view
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002 other view
MEAM_LAMMPS_KimJungLee_2012_LiMg__MO_427397414195_001 other view
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_001 other view
MEAM_LAMMPS_KimKoLee_2020_NaSn__MO_329881861557_002 other view
MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001 other view
MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_002 other view
MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_001 other view
MEAM_LAMMPS_LeeShimBaskes_2003_Al__MO_353977746962_001 other view
MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_001 other view
MEAM_LAMMPS_ParkFellingerLenosky_2012_Ta__MO_105449194206_001 other view
MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_002 other view
MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_001 other view
MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_001 other view
MEAM_LAMMPS_ShimLeeFleury_2011_VH__MO_072444764353_002 other view
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_002 other view
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_001 other view
MEAM_LAMMPS_WuLeeSu_2017_NiCr__MO_880803040302_001 other view
MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_002 other view
MEAM_LAMMPS_YangQi_2019_Nb__MO_360068930164_001 other view
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000 other view
Sim_LAMMPS_ReaxFF_IslamOstadhosseinBorodin_2015_LiS__SM_058492438145_000 other view
Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001 other view
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000 other view
Sim_LAMMPS_ReaxFF_SinghSrinivasanNeekAmal_2013_CFH__SM_306840588959_000 other view