Crate edip

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Literature

  • http://www-math.mit.edu/~bazant/EDIP

  • M.Z. Bazant & E. Kaxiras: Modeling of Covalent Bonding in Solids by Inversion of Cohesive Energy Curves; Phys. Rev. Lett. 77, 4370 (1996)

  • M.Z. Bazant, E. Kaxiras and J.F. Justo: Environment-dependent interatomic potential for bulk silicon; Phys. Rev. B 56, 8542-8552 (1997)

Structs

EdipParameters
Parameters for EDIP

Functions

compute_forces
Compute energy and forces using Environment-dependent interatomic potential (EDIP) by M.Z. Bazant.

Type Definitions

Distances
Neighbor