diff --git a/src/rom_main.cc b/src/rom_main.cc index a825ba3f..3718078f 100644 --- a/src/rom_main.cc +++ b/src/rom_main.cc @@ -50,7 +50,6 @@ int main(int argc, char** argv) std::string input_filename(""); std::string lrs_filename; std::string constraints_filename(""); - bool tcheck = false; float total_spin = 0.; bool with_spin = false; @@ -64,7 +63,7 @@ int main(int argc, char** argv) if (MPIdata::onpe0) { read_config(argc, argv, vm, input_filename, lrs_filename, - constraints_filename, total_spin, with_spin, tcheck); + constraints_filename, total_spin, with_spin); } MGmol_MPI::setup(comm, std::cout, with_spin); @@ -97,17 +96,13 @@ int main(int argc, char** argv) mgmol = new MGmol(global_comm, *MPIdata::sout, input_filename, lrs_filename, constraints_filename); - if (!tcheck) - { - if (ct.isLocMode()) - readRestartFiles(mgmol); - else - readRestartFiles(mgmol); - } + mgmol->setup(); + + if (ct.isLocMode()) + readRestartFiles(mgmol); else - { - *MPIdata::sout << " Input parameters OK\n"; - } + readRestartFiles(mgmol); + delete mgmol; } // close main scope