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update rom main driver again
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dreamer2368 committed Jun 14, 2024
1 parent 5c75b60 commit 0b19d9b
Showing 1 changed file with 7 additions and 12 deletions.
19 changes: 7 additions & 12 deletions src/rom_main.cc
Original file line number Diff line number Diff line change
Expand Up @@ -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;
Expand All @@ -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);
Expand Down Expand Up @@ -97,17 +96,13 @@ int main(int argc, char** argv)
mgmol = new MGmol<ExtendedGridOrbitals>(global_comm, *MPIdata::sout,
input_filename, lrs_filename, constraints_filename);

if (!tcheck)
{
if (ct.isLocMode())
readRestartFiles<LocGridOrbitals>(mgmol);
else
readRestartFiles<ExtendedGridOrbitals>(mgmol);
}
mgmol->setup();

if (ct.isLocMode())
readRestartFiles<LocGridOrbitals>(mgmol);
else
{
*MPIdata::sout << " Input parameters OK\n";
}
readRestartFiles<ExtendedGridOrbitals>(mgmol);

delete mgmol;

} // close main scope
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