diff --git a/src/DIELECTRIC/fix_polarize_bem_gmres.cpp b/src/DIELECTRIC/fix_polarize_bem_gmres.cpp index c0d3a7d882..07303addea 100644 --- a/src/DIELECTRIC/fix_polarize_bem_gmres.cpp +++ b/src/DIELECTRIC/fix_polarize_bem_gmres.cpp @@ -273,9 +273,13 @@ void FixPolarizeBEMGMRES::setup(int /*vflag*/) efield_kspace = (dynamic_cast(force->kspace))->efield; else error->all(FLERR, "Kspace style not compatible with fix polarize/bem/gmres"); - } else - error->all(FLERR, "No Kspace style available for fix polarize/bem/gmres"); - + } else { + if (kspaceflag == 1) { // users specified kspace yes but there is no kspace pair style + error->warning(FLERR, "No Kspace pair style available for fix polarize/bem/gmres"); + kspaceflag = 0; + } + } + // NOTE: epsilon0e2q converts (epsilon0 * efield) to the unit of (charge unit / squared distance unit) // efield is computed by pair and kspace styles in the unit of energy unit / charge unit / distance unit // for units real efield is in the unit of kcal/mol/e/A diff --git a/src/DIELECTRIC/fix_polarize_bem_icc.cpp b/src/DIELECTRIC/fix_polarize_bem_icc.cpp index 3d451256ff..9b778122af 100644 --- a/src/DIELECTRIC/fix_polarize_bem_icc.cpp +++ b/src/DIELECTRIC/fix_polarize_bem_icc.cpp @@ -175,10 +175,9 @@ void FixPolarizeBEMICC::setup(int /*vflag*/) efield_kspace = (dynamic_cast(force->kspace))->efield; else error->all(FLERR, "Kspace style not compatible with fix polarize/bem/icc"); - } else { - if (kspaceflag == 1) { // users specified kspace yes - error->warning(FLERR, "No Kspace style available for fix polarize/bem/icc"); + if (kspaceflag == 1) { // users specified kspace yes but there is no kspace pair style + error->warning(FLERR, "No Kspace pair style available for fix polarize/bem/icc"); kspaceflag = 0; } }