Commit 7185db98 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

NEBLongRange was incorrectly set to false by default. revert to true.

parent 3fd91a23

src/REPLICA/fix_neb.cpp

+2 −2
Original line number Diff line number Diff line
@@ -46,8 +46,8 @@ FixNEB::FixNEB(LAMMPS *lmp, int narg, char **arg) : 
  displacements(NULL)

{





  StandardNEB=NEBLongRange=PerpSpring=FreeEndIni=FreeEndFinal=false;

  NEBLongRange=true;

  StandardNEB=PerpSpring=FreeEndIni=FreeEndFinal=false;

  FreeEndFinalWithRespToEIni=FinalAndInterWithRespToEIni=false;



  kspringPerp=0.0;

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