Commit 131c5aad authored by Eugen Rožić's avatar Eugen Rožić
Browse files

Error/warning tweaks

parent 62bfd300

src/USER-MISC/pair_cosine_squared.cpp

+2 −2
Original line number Diff line number Diff line
@@ -154,10 +154,10 @@ void PairCosineSquared::coeff(int narg, char **arg) 
  }



  if (cut_one < sigma_one) {

    error->all(FLERR, "Incorrect args for cosine/squared pair coeffs (cutoff < sigma)");

    error->all(FLERR, "Incorrect args for pair coefficients (cutoff < sigma)");

  } else if (cut_one == sigma_one) {

    if (wca_one == 0) {

      error->all(FLERR, "Incorrect args for cosine/squared pair coeffs (cutoff = sigma w/o wca)");

      error->all(FLERR, "Incorrect args for pair coefficients (cutoff = sigma w/o wca)");

    } else {

      error->warning(FLERR, "Cosine/squared set to WCA only (cutoff = sigma)");

    }

src/USER-MISC/pair_cosine_squared.h

+5 −0
Original line number Diff line number Diff line
@@ -91,5 +91,10 @@ W: pair_modify shift/tail is meaningless for pair_style cosine/squared 
This style by definition gets to zero at cutoff distance, so there is nothing

to shift and there is no tail contribution



W: Cosine/squared set to WCA only (cutoff = sigma)



If cutoff is equal to sigma (minimum) then this pair style basically

degenerates/reverts to only WCA. This is for convenience.



*/

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