diff --git a/apps/transop-ewald/transop_ewald.c b/apps/transop-ewald/transop_ewald.c index b3ae859..537b883 100644 --- a/apps/transop-ewald/transop_ewald.c +++ b/apps/transop-ewald/transop_ewald.c @@ -164,6 +164,7 @@ int main (int argc, char **argv) { int retval = cmdline_parser(argc, argv, *args_info); if (retval) return retval; + // Parse lattice vectors const int latdim = args_info.base_vector_given; QPMS_ENSURE(latdim == 2, "Sorry, only 2d lattices supported, but %d basis vectors were given\n", @@ -183,6 +184,7 @@ int main (int argc, char **argv) { const double refindex = args_info.refractive_index_arg; + // Parse all particle positions const int npart = args_info.particle_given; if(!npart) ++npart; cart2_t part_positions[npart]; @@ -197,6 +199,15 @@ int main (int argc, char **argv) { i, gotnumbers, latdim); } + QPMS_ENSURE(!args_info.k_omega_meshgrid_mode_counter != !args_info.k_omega_points_mode_counter, + "THIS IS A BUG. Only one mode ((k, ω) tuples, or k, ω lists) allowed."); + if (args_info.k_omega_meshgrid_mode_counter) { // grid mode + TODO; + } else if (args_info.k_omega_points_mode_counter) { // explic. point mode + TODO; + } + + const double scuffomega = strtod(argv[7], NULL); //#ifdef KSTDIN size_t kcount = 0;