use {fmt} (a862a8c7) · Commits · 郑智淋 / lammps

src/MOLECULE/bond_fene.cpp

+4 −5

Original line number	Diff line number	Diff line
		@@ -23,6 +23,7 @@
		#include "memory.h"
		#include "error.h"
		#include "utils.h"
		#include "fmt/format.h"

		using namespace LAMMPS_NS;

		@@ -82,13 +83,11 @@ void BondFENE::compute(int eflag, int vflag)
		// if r -> r0, then rlogarg < 0.0 which is an error
		// issue a warning and reset rlogarg = epsilon
		// if r > 2*r0 something serious is wrong, abort
		printf("r = %g r0 = %g rlogarg = %g\n",sqrt(rsq),sqrt(r0sq),rlogarg);

		if (rlogarg < 0.1) {
		char str[128];
		sprintf(str,"FENE bond too long: " BIGINT_FORMAT " "
		TAGINT_FORMAT " " TAGINT_FORMAT " %g",
		update->ntimestep,atom->tag[i1],atom->tag[i2],sqrt(rsq));
		error->warning(FLERR,str,0);
		error->warning(FLERR,fmt::format("FENE bond too long: {} {} {} {}",
		update->ntimestep,atom->tag[i1],atom->tag[i2],sqrt(rsq)));
		if (rlogarg <= -3.0) error->one(FLERR,"Bad FENE bond");
		rlogarg = 0.1;
		}