Unverified Commit 494750b4 authored by Evangelos Voyiatzis's avatar Evangelos Voyiatzis Committed by GitHub
Browse files

Update bond_morse.cpp

parent c472f38f

src/MOLECULE/bond_morse.cpp

+9 −0
Original line number Diff line number Diff line
@@ -205,3 +205,12 @@ double BondMorse::single(int type, double rsq, int /*i*/, int /*j*/, 
  if (r > 0.0) fforce = -2.0*d0[type]*alpha[type]*(1-ralpha)*ralpha/r;

  return d0[type]*(1-ralpha)*(1-ralpha);

}



/* ---------------------------------------------------------------------- */



void *BondMorse::extract(char *str, int &dim )

{

  dim = 1;

  if (strcmp(str,"r0")==0) return (void*) r0;

  return NULL;

}

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