revised temper_grem example, better file management (2a026c9a) · Commits · 郑智淋 / lammps

examples/USER/misc/grem/lj-single/in.gREM-npt

+2 −2

Original line number	Original line	Diff line number	Diff line
	@@ -13,8 +13,8 @@ thermo_style custom step temp pe etotal press vol

	timestep 1.0		timestep 1.0

	fix fxnvt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0		fix fxnpt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0
	fix fxgREM all grem 400 -.01 -30000 fxnvt		fix fxgREM all grem 400 -.01 -30000 fxnpt
	thermo_modify press fxgREM_press		thermo_modify press fxgREM_press
	run 1000		run 1000

+1 −0