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

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

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

		timestep 1.0

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

+1 −0