kim-api 2.3.0+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
Loading...
Searching...
No Matches
Alchemy_PbAu.in
Go to the documentation of this file.
1if "${alchemy_mapping} == Pb" then &
2 "pair_coeff ${alchemy_curr_type} ${alchemy_curr_type} 0.8589880 2.6014200 10.4057000" &
3elif "${alchemy_mapping} == Au" &
4 "pair_coeff ${alchemy_curr_type} ${alchemy_curr_type} 2.3058000 2.4232400 9.6929800"
5
6next alchemy_curr_type
7next alchemy_mapping
8jump SELF