diff --git a/docs/source/quickstart/pot.tadah b/docs/source/quickstart/pot.tadah index 8aa524340039f319a14c116a14503683157ca5d3..049f7fc64e757c1b6b66de234a72f03abf3a1f4e 100644 --- a/docs/source/quickstart/pot.tadah +++ b/docs/source/quickstart/pot.tadah @@ -1,3 +1,4 @@ +ATOMS Ta BIAS true DIMER false 0 false EWEIGHT 1 @@ -15,7 +16,8 @@ OUTPREC 10 RCTYPE2B Cut_Dummy RCUT2B 5.3 SWEIGHT 1 -TYPE2B D2_LJ +TYPE2B D2_LJ Ta Ta VERBOSE 0 +WATOMS 73 WEIGHTS -11.31560878 -2.822924848 -31.4886432