# vibe-qc population / properties dump
# Sections: mulliken charges, löwdin charges,
# hirshfeld charges, mayer bond orders (top-N), dipole moment.
# Tab-separated. Lines starting with '#' are comments.

# === Mulliken atomic charges ===
# idx	symbol	Z	charge
0	Mg	12.0	+0.843860
1	O	8.0	-0.843860

# === Löwdin atomic charges ===
# idx	symbol	Z	charge
0	Mg	12.0	+0.703429
1	O	8.0	-0.703429

# === Hirshfeld atomic charges ===
# hirshfeld: N/A -- unsupported: periodic BIPOLE Hirshfeld charges require a periodic promolecule/grid partition, which is not implemented

# === Mayer bond orders (top entries) ===
# i	j	sym_i	sym_j	order
0	1	Mg	O	1.6447

# === Wiberg bond indices (top entries) ===
# wiberg: N/A -- no bonds above threshold

# === NPA atomic charges ===
# npa: N/A -- no data

# === Dipole moment ===
# dipole: N/A -- unsupported: ordinary electric dipole moments are ill-defined for 3D periodic BIPOLE bulk cells; Berry-phase polarization is not implemented
