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Update initializeAtom.cpp
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meisenbach authored Jan 10, 2024
1 parent b9cc1ab commit 481fd0f
Showing 1 changed file with 6 additions and 7 deletions.
13 changes: 6 additions & 7 deletions src/Main/initializeAtom.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -721,13 +721,12 @@ void initializeNewPotentials(LSMSCommunication &comm, LSMSSystemParameters &lsms
local.atom[i].ztotss, n, l, spin, kappa, occupation);

if (lsms.global.debug_atomic) {

fmt::print("{:>10}: {:4d}\n", "n", n);
fmt::print("{:>10}: {:4d}\n", "l", l);
fmt::print("{:>10}: {:4d}\n", "spin", spin);
fmt::print("{:>10}: {:4d}\n", "kappa", kappa);
fmt::print("{:>10}: {:4.2f}\n", "occ", occupation);
fmt::print("{:>10}: {:8.3f}\n", "ks", ks_energies);
fmt::print("{:>10}: {:4d}\n", "n", fmt::join(n, " "));
fmt::print("{:>10}: {:4d}\n", "l", fmt::join(l, " "));
fmt::print("{:>10}: {:4d}\n", "spin", fmt::join(spin, " "));
fmt::print("{:>10}: {:4d}\n", "kappa", fmt::join(kappa, " "));
fmt::print("{:>10}: {:4.2f}\n", "occ", fmt::join(occupation, " "));
fmt::print("{:>10}: {:8.3f}\n", "ks", fmt::join(ks_energies, " "));
}

auto n_states = n.size();
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