Merge pull request #576 from akohlmey/sanitizer-changes (72e5f537) · Commits · 郑智淋 / lammps

doc/src/pair_peri.txt

+1 −1

Original line number	Diff line number	Diff line
		@@ -127,7 +127,7 @@ G (force/area units)
		horizon (distance units)
		s00 (unitless)
		alpha (unitless)
		m_yield_stress (force/area units)
		m_yield_stress (force/area units) :ul

		K is the bulk modulus and G is the shear modulus. The horizon is a
		cutoff distance and s00 and alpha are used as a bond breaking

examples/USER/misc/flow_gauss/in.GD

100755 → 100644

+130 −126

Original line number	Diff line number	Diff line
		@@ -81,7 +81,9 @@ pair_style lj/cut 2.5
		pair_modify shift yes
		pair_coeff 1 1 1.0 1.0 2.5
		pair_coeff 1 2 1.0 1.0 1.12246
		pair_coeff 2 2 0.0 0.0 0.0
		pair_coeff 2 2 0.0 0.0

		neigh_modify exclude type 2 2

		timestep ${ts}

		@@ -180,13 +182,13 @@ thermo ${thermo_rate}
		thermo_style custom step c_myT c_myTp etotal press

		#dump initial configuration
		dump 55 all custom 1 all.init.lammpstrj id type x y z vx vy vz
		dump 56 wall custom 1 wall.init.lammpstrj id type x y z
		dump_modify 55 sort id
		dump_modify 56 sort id
		# dump 55 all custom 1 all.init.lammpstrj id type x y z vx vy vz
		# dump 56 wall custom 1 wall.init.lammpstrj id type x y z
		# dump_modify 55 sort id
		# dump_modify 56 sort id
		run 0
		undump 55
		undump 56
		# undump 55
		# undump 56

		#####################################################################
		#equilibrate without GD
		@@ -223,8 +225,11 @@ variable invVol equal 1.0/(lx*ly)
		variable jx equal c_vxBulk*${invVol}
		variable jy equal c_vyBulk*${invVol}
		variable curr_step equal step
		variable p_Fapp format Fapp %.3f
		variable p_jx format jx %.5g
		variable p_jy format jy %.5g
		fix print_vCOM all print ${dump_rate} &
		"${curr_step} ${Fapp} ${jx} ${jy}" file GD.out screen no &
		"${curr_step} ${p_Fapp} ${p_jx} ${p_jy}" file GD.out screen no &
		title "timestep Fapp Jx Jy"

		#compute IK1 pressure profile
		@@ -251,8 +256,7 @@ fix velYprof bulk ave/chunk 1 1 ${dump_rate} chunkY &
		vx file Vy_profile ave running overwrite

		#full trajectory
		dump 7 bulk custom ${dump_rate} bulk.lammpstrj &
		id type x y z
		dump_modify 7 sort id
		# dump 7 bulk custom ${dump_rate} bulk.lammpstrj id type x y z
		# dump_modify 7 sort id

		run ${run}

examples/USER/misc/flow_gauss/log.6Jul17.GD.g++.1

0 → 100644

+909 −0

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examples/USER/misc/flow_gauss/log.6Jul17.GD.g++.4

0 → 100644

+909 −0

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examples/USER/misc/flow_gauss/output-files/GD.out

0 → 100644

+41 −0

Original line number	Diff line number	Diff line
		timestep Fapp Jx Jy
		2050 -215.835 0.1 -0.002562
		2100 -220.455 0.1 -0.0019705
		2150 55.212 0.1 -0.0028338
		2200 87.052 0.1 -0.0042335
		2250 -62.998 0.1 -0.0045646
		2300 71.630 0.1 -0.0039858
		2350 43.159 0.1 -0.0029771
		2400 109.930 0.1 -0.0018522
		2450 110.735 0.1 -0.0011188
		2500 107.071 0.1 0.0005978
		2550 335.449 0.1 0.0010164
		2600 159.694 0.1 -0.00015953
		2650 6.532 0.1 -0.0004907
		2700 65.524 0.1 -0.00093116
		2750 79.662 0.1 -0.0033425
		2800 69.846 0.1 -0.0055377
		2850 122.175 0.1 -0.00721
		2900 32.456 0.1 -0.0086166
		2950 -85.137 0.1 -0.01107
		3000 154.735 0.1 -0.011337
		3050 72.979 0.1 -0.0095316
		3100 -24.457 0.1 -0.0098708
		3150 -0.383 0.1 -0.0094961
		3200 132.434 0.1 -0.011524
		3250 48.222 0.1 -0.014966
		3300 -73.186 0.1 -0.016999
		3350 172.062 0.1 -0.018554
		3400 106.144 0.1 -0.021202
		3450 -22.860 0.1 -0.01949
		3500 22.120 0.1 -0.016033
		3550 -254.920 0.1 -0.012172
		3600 -147.218 0.1 -0.011162
		3650 -12.508 0.1 -0.010255
		3700 81.846 0.1 -0.0085117
		3750 -79.406 0.1 -0.0061294
		3800 -34.994 0.1 -0.0026239
		3850 94.992 0.1 -0.0015312
		3900 -0.345 0.1 -0.0011157
		3950 -88.693 0.1 -0.0018929
		4000 156.029 0.1 -0.0024547

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