# This Source Code Form is subject to the terms of the Mozilla Public License,
# v. 2.0. If a copy of the MPL was not distributed with this file, You can
# obtain one at http://mozilla.org/MPL/2.0/.

KIM_API_Version := 1.6.0

Unit_Handling    := fixed
Unit_length      := A
Unit_energy      := eV
Unit_charge      := e
Unit_temperature := K
Unit_time        := ps


#######################################################################################################
PARTICLE_SPECIES:
# Symbol/name               Type                    code

Fe                        spec                      1


#######################################################################################################
CONVENTIONS:
# Name                      Type

OneBasedLists               flag

#Neigh_IterAccess            flag

Neigh_LocaAccess            flag

NEIGH_PURE_H                flag

NEIGH_RVEC_F                flag

NEIGH_PURE_F                flag

MI_OPBC_H                   flag

MI_OPBC_F                   flag

CLUSTER                      flag


#######################################################################################################
MODEL_INPUT:
# Name                      Type         Unit                Shape              Requirements

numberOfParticles           integer      none                []

numberContributingParticles integer      none                []                 optional

numberOfSpecies         integer      none                []

particleSpecies               integer      none                [numberOfParticles]

coordinates                 double       length              [numberOfParticles,3]

boxSideLengths              double       length              [3]                optional

get_neigh                   method       none                []                 optional

neighObject                 pointer      none                []                 optional


#######################################################################################################
MODEL_OUTPUT:
# Name                      Type         Unit                Shape              Requirements

destroy                     method       none                []                 optional

compute                     method       none                []

reinit                      method       none                []                 optional

cutoff                      double       length              []

energy                      double       energy              []                 optional

forces                      double       force               [numberOfParticles,3]  optional

particleEnergy              double       energy              [numberOfParticles]    optional

virial                      double       energy              [6]                optional


#######################################################################################################
MODEL_PARAMETERS:
# Name                      Type         Unit                Shape              Requirements

# --- No published parameters ---