(386dec94) · Commits · 郑智淋 / lammps

tools/python/pizza/cfg.py

+2 −0

Original line number	Diff line number	Diff line
		@@ -86,6 +86,7 @@ class cfg:
		# print >>f,"1.0 %d %15.10f %15.10f %15.10f %15.10f %15.10f %15.10f " % (itype,xfrac,yfrac,zfrac,atom[5],atom[6],atom[7])
		print >>f,"1.0 %d %15.10f %15.10f %15.10f 0.0 0.0 0.0 " % (itype,xfrac,yfrac,zfrac)

		print time,
		sys.stdout.flush()
		n += 1

		@@ -140,6 +141,7 @@ class cfg:
		# print >>f,"1.0 %d %15.10f %15.10f %15.10f %15.10f %15.10f %15.10f " % (itype,xfrac,yfrac,zfrac,atom[5],atom[6],atom[7])
		print >>f,"1.0 %d %15.10f %15.10f %15.10f 0.0 0.0 0.0 " % (itype,xfrac,yfrac,zfrac)

		print time,
		sys.stdout.flush()
		f.close()
		n += 1