Jump to: Files | Wiki

Morse_Shifted__MD_552566534109_002

Title
A single sentence description.
Morse pair potential shifted to zero energy at cutoff separation v002
Description This Model Driver implements the Morse pair potential. It takes four parameters: (1) the cutoff separation in angstroms, (2) the epsilon parameter in eV, (3) the C parameter in inverse angstroms, and (4) the equilibrium pair separation 'Rzero' in angstroms. The potential is shifted in energy so that it takes a value of zero eV at the cutoff separation.
Contributor Ryan
Maintainer Ryan
Author Ryan S. Elliott
Publication Year 2018
Source Citations
A citation to primary published work(s) that describe this KIM Item.

Jones JE (1924) On the Determination of Molecular Fields. II. From the Equation of State of a Gas. Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences 106(738):463–477. doi:10.1098/rspa.1924.0082

Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
MD_552566534109_002
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.
Morse_Shifted__MD_552566534109_002
DOI 10.25950/4da6de63
https://doi.org/10.25950/4da6de63
https://search.datacite.org/works/10.25950/4da6de63
KIM Item TypeModel Driver
KIM API Version2.0
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% C
Previous Version Morse_Shifted__MD_552566534109_001

Models using this Model Driver

Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ag__MO_111986436268_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Al__MO_140175748626_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ba__MO_676977998912_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cr__MO_859700307573_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cs__MO_187111446479_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_K__MO_836927321152_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Na__MO_587469264453_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Pb__MO_370271093517_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Rb__MO_908110223949_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Sr__MO_497591319122_002
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_W__MO_646516726498_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ag__MO_137719994600_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ba__MO_143487634619_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ca__MO_887105884651_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cr__MO_483480726117_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cs__MO_256406354561_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_K__MO_749732139672_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Na__MO_707981543254_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Pb__MO_534638645497_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Rb__MO_754498969542_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Sr__MO_801083489225_002
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_W__MO_489351836217_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ag__MO_861893969202_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ba__MO_229241184339_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ca__MO_562200212426_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cr__MO_245813471114_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cs__MO_999639780744_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_K__MO_202712315930_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Mo__MO_534363225491_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Na__MO_636041334617_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Rb__MO_147245690895_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Sr__MO_964297938209_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_W__MO_390128289865_002
Morse_Shifted_Glyde_1970_Ne__MO_169434419764_002
Morse_Shifted_Jelinek_1972_Ar__MO_831902330215_002


Wiki

Wiki is ready to accept new content.

Login to edit Wiki content