added control output of variable total_interactions before reading interactions.ini
[cluster_expansion.git] / interactions.ini
blob9fb4cfac76ae22c9d8cd51370f41f79bf2f7b406
1 ; Input file for the description of the set of interaction parameters to search for at the given surface
2 ; configuration
3 ; Keywords must be "pair", "trio", "quattro", "quinto" for the different interaction types
5 ; Pair_Interaction_Parameters: Vp1, Vp2, Vp2across, Vp3, Vp4, Vp4across, Vp5, Vp5across, Vp6
7 [Interactions]
8 pair = 1/0 "Vp1"
9 pair = 1/1 "Vp2"
10 pair = 1/1 "Vp2_across"
12 ; Trio Interaction Parameters: Vtr, Vtr112, Vtr112across, Vtr2, Vtr2across, Vtr22across3, Vtr214, Vtr214across,
13 ; Vtr3, Vtr13, Vtr335, Vtr335across, Vtr223across, Vtr134, Vtr237, Vtr237across
15 trio = 1/0:1/1 "Vtr1"
16 trio = 1/1:-1/1 "Vtr112"
17 ;trio =
19 ;quattro =
21 ;quinto =