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This commit is contained in:
Stan Gerald Moore
2021-09-09 12:08:09 -06:00
parent 214725d1ee
commit 31214de51a
1 changed files with 2 additions and 3 deletions
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5
src/KOKKOS/fix_acks2_reaxff_kokkos.cpp
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@ -1304,11 +1304,11 @@ int FixACKS2ReaxFFKokkos<DeviceType>::bicgstab_solve()
if (comm->me == 0) {
if (omega == 0 || rho == 0) {
char str[128];
sprintf(str,"Fix acks2/reax/kk BiCGStab numerical breakdown, omega = %g, rho = %g",omega,rho);
sprintf(str,"Fix acks2/reaxff/kk BiCGStab numerical breakdown, omega = %g, rho = %g",omega,rho);
error->warning(FLERR,str);
} else if (i >= imax) {
char str[128];
sprintf(str,"Fix acks2/reax/kk BiCGStab convergence failed after %d iterations "
sprintf(str,"Fix acks2/reaxff/kk BiCGStab convergence failed after %d iterations "
"at " BIGINT_FORMAT " step",i,update->ntimestep);
error->warning(FLERR,str);
}
@ -1317,7 +1317,6 @@ int FixACKS2ReaxFFKokkos<DeviceType>::bicgstab_solve()
return i;
}
/* ---------------------------------------------------------------------- */
template<class DeviceType>