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simplify

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This commit is contained in:
Axel Kohlmeyer
2021-09-30 00:40:30 -04:00
parent f6cb693d6b
commit f2755a8085
1 changed files with 6 additions and 14 deletions
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20
src/REAXFF/fix_acks2_reaxff.cpp
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@ -492,13 +492,8 @@ void FixACKS2ReaxFF::compute_X()
}
}
if (m_fill >= X.m) {
char str[128];
sprintf(str,"X matrix size has been exceeded: m_fill=%d X.m=%d\n",
m_fill, X.m);
error->warning(FLERR,str);
error->all(FLERR,"Fix acks2/reaxff has insufficient ACKS2 matrix size");
}
if (m_fill >= X.m)
error->all(FLERR,"Fix acks2/reaxff has insufficient ACKS2 X matrix size: m_fill={} X.m={}\n",m_fill,X.m);
}
/* ---------------------------------------------------------------------- */
@ -621,14 +616,11 @@ int FixACKS2ReaxFF::BiCGStab(double *b, double *x)
if (comm->me == 0) {
if (omega == 0 || rho == 0) {
char str[128];
sprintf(str,"Fix acks2/reaxff BiCGStab numerical breakdown, omega = %g, rho = %g",omega,rho);
error->warning(FLERR,str);
error->warning(FLERR,"Fix acks2/reaxff BiCGStab numerical breakdown, omega = {:.8}, rho = {:.8}",
omega,rho);
} else if (i >= imax) {
char str[128];
sprintf(str,"Fix acks2/reaxff BiCGStab convergence failed after %d iterations "
"at " BIGINT_FORMAT " step",i,update->ntimestep);
error->warning(FLERR,str);
error->warning(FLERR,"Fix acks2/reaxff BiCGStab convergence failed afteri {} iterations "
"at step {}", i, update->ntimestep);
}
}