Commit d15db7b5 authored by abhishandy's avatar abhishandy
Browse files

fix the atomic numbers in ZBL test

parent 86c53cb2

unittest/force-styles/tests/mol-pair-zbl.yaml

+5 −1
Original line number Diff line number Diff line
@@ -10,7 +10,11 @@ post_commands: ! "" 
input_file: in.fourmol

pair_style: zbl 6.0 8.0

pair_coeff: ! |

  * *  6  6

  1 1  6  6

  2 2  7  7

  3 3  2  2

  4 4  8  8

  5 5  8  8

extract: ! ""

natoms: 29

init_vdwl: 6904.09747414633

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