[Feature Request] support other lammps data styles

[njzjz]

Summary

In the lammps/lmp style, support other LAMMPS data styles along with atomic.

Detailed Description

Currently, only the atomic style is supported.

dpdata/dpdata/lammps/lmp.py

Lines 92 to 95 in 6b57f35

	def _atom_info_atom(line):
	vec = line.split()
	# idx, atom_type, x, y, z
	return int(vec[0]), int(vec[1]), float(vec[2]), float(vec[3]), float(vec[4])

According to the LAMMPS website, different styles have different columns for atoms:

angle	atom-ID molecule-ID atom-type x y z
atomic	atom-ID atom-type x y z
body	atom-ID atom-type bodyflag mass x y z
bond	atom-ID molecule-ID atom-type x y z
bpm/sphere	atom-ID molecule-ID atom-type diameter density x y z
charge	atom-ID atom-type q x y z
dielectric	atom-ID atom-type q x y z mux muy muz area ed em epsilon curvature
dipole	atom-ID atom-type q x y z mux muy muz
dpd	atom-ID atom-type theta x y z
edpd	atom-ID atom-type edpd_temp edpd_cv x y z
electron	atom-ID atom-type q espin eradius x y z
ellipsoid	atom-ID atom-type ellipsoidflag density x y z
full	atom-ID molecule-ID atom-type q x y z
line	atom-ID molecule-ID atom-type lineflag density x y z
mdpd	atom-ID atom-type rho x y z
molecular	atom-ID molecule-ID atom-type x y z
peri	atom-ID atom-type volume density x y z
rheo	atom-ID atom-type status rho x y z
rheo/thermal	atom-ID atom-type status rho energy x y z
smd	atom-ID atom-type molecule volume mass kradius cradius x0 y0 z0 x y z
sph	atom-ID atom-type rho esph cv x y z
sphere	atom-ID atom-type diameter density x y z
spin	atom-ID atom-type x y z spx spy spz sp
tdpd	atom-ID atom-type x y z cc1 cc2 … ccNspecies
template	atom-ID atom-type molecule-ID template-index template-atom x y z
tri	atom-ID molecule-ID atom-type triangleflag density x y z
wavepacket	atom-ID atom-type charge espin eradius etag cs_re cs_im x y z
hybrid	atom-ID atom-type x y z sub-style1 sub-style2 …

A problem is that there is no way to know what the style the file uses.

Further Information, Files, and Links

No response