[Code scan] Preserve global dipole and polarizability in raw_to_set.sh

[njzjz]

This issue comes from a Codex global scan of deepmodeling/deepmd-kit at commit 73de44b1f94471b2e3bdb6b11f57b34d7bc791bb.

Problem

data/raw/raw_to_set.sh splits global dipole.raw and polarizability.raw files:

deepmd-kit/data/raw/raw_to_set.sh

Lines 20 to 21 in 73de44b

	test -f dipole.raw && split dipole.raw -l $nline_per_set -d -a 3 dipole.raw
	test -f polarizability.raw && split polarizability.raw -l $nline_per_set -d -a 3 polarizability.raw

Later, each set directory tries to convert dipole.raw and polarizability.raw if those files exist inside the set:

deepmd-kit/data/raw/raw_to_set.sh

Lines 81 to 93 in 73de44b

	python -c \
	'import numpy as np; import os.path;
	if os.path.isfile("dipole.raw"):
	data = np.loadtxt("dipole.raw", ndmin = 2);
	data = data.astype (np.float64);
	np.save ("dipole", data)
	'
	python -c \
	'import numpy as np; import os.path;
	if os.path.isfile("polarizability.raw"):
	data = np.loadtxt("polarizability.raw", ndmin = 2);
	data = data.astype (np.float64);
	np.save ("polarizability", data)

However, the move block only moves atomic_dipole.raw$pi and atomic_polarizability.raw$pi; it omits the split global files dipole.raw$pi and polarizability.raw$pi:

deepmd-kit/data/raw/raw_to_set.sh

Lines 33 to 41 in 73de44b

	mv box.raw$pi set.$pi/box.raw
	mv coord.raw$pi set.$pi/coord.raw
	test -f energy.raw$pi && mv energy.raw$pi set.$pi/energy.raw
	test -f force.raw$pi && mv force.raw$pi set.$pi/force.raw
	test -f virial.raw$pi && mv virial.raw$pi set.$pi/virial.raw
	test -f atom_ener.raw$pi && mv atom_ener.raw$pi set.$pi/atom_ener.raw
	test -f fparam.raw$pi && mv fparam.raw$pi set.$pi/fparam.raw
	test -f atomic_dipole.raw$pi && mv atomic_dipole.raw$pi set.$pi/atomic_dipole.raw
	test -f atomic_polarizability.raw$pi && mv atomic_polarizability.raw$pi set.$pi/atomic_polarizability.raw

Impact

Datasets containing global dipole or polarizability labels silently lose those labels during conversion. The split files remain in the raw directory instead of being moved into set.*/, so dipole.npy and polarizability.npy are never generated.

Suggested fix

Move dipole.raw$pi to set.$pi/dipole.raw and polarizability.raw$pi to set.$pi/polarizability.raw before entering the set directory, matching the existing conversion blocks.