cannot recompute rho after loading a restart file.

[dreamer2368]

For debugging purpose, I'm trying to check if I'm properly loading the density from a restart file. Following snippet attempts to load a restart file, recompute the density and compare it from the density in the restart file:

    MGmol_MPI& mmpi      = *(MGmol_MPI::instance());
    const int rank = mmpi.mypeGlobal();
    const int nprocs = mmpi.size();

    Control& ct = *(Control::instance());
    MGmol<OrbitalsType> *mgmol = static_cast<MGmol<OrbitalsType> *>(mgmol_);
    std::shared_ptr<Rho<OrbitalsType>> rho = mgmol->getRho();

    /* load a restart file */
    mgmol->loadRestartFile(ct.restart_file);

    /* save density from the restart file to elsewhere */
    std::vector<RHODTYPE> rho0(rho->rho_[0].size());
    rho0 = rho->rho_[0];

    /* recompute rho from the orbital */
    rho->update(*mgmol->getOrbitals());

    /* check if the recomputed density is the same */
    for (int d = 0; d < rho0.size(); d++)
    {
        if (rho0[d] != rho->rho_[0][d])
            printf("rank %d, rho[%d]=%.15e, rho0[%d]=%.15e\n", rank, d, rho->rho_[0][d], d, rho0[d]);
    }

This is also implemented in rho-bug branch, as an executable test_rho_restart. This does not need libROM library, same installation as release branch. It can be run just as mgmol_opt:

test_rho_restart -c carbyne.cfg

However, when I try this on any restart file of Carbyne example, I receive the following error:

 Rho<OrbitalsType>::rescaleTotalCharge(), charge = 1.96e+02
 Rescaling factor: 2.55e-01
 Num. electrons: 5.00e+01
Error on density too large to continue. Abort.

@jeanlucf22 , can you take a look at this minimal example and check if I'm doing something wrong here? This test is necessary before I get into debugging other parts of ROM. I can send you a config and restart file as well if needed.