Updating the shear1 example

Author: llaniewski

example/particle/3d/shear1.xml

@@ -2,8 +2,8 @@
 <CLBConfig version="2.0" permissive="true" output="output/">
 	<Units>
 		<Param name="H" value="1m" gauge="32"/>
-		<Param name="L" value="1x" gauge="2m"/>
-		<Param name="nu" value="1m2/s" gauge="0.166666"/>
+		<Param name="L" value="1x" gauge="1m"/>
+		<Param name="nu" value="1m2/s" gauge="0.16"/><!-- 1s -->
 		<Param name="rho" value="1kg/m3" gauge="1"/>
 	</Units>
 	<Geometry nx="1x" ny="1m+2" nz="1x" px="-0.5x" py="-1" pz="-0.5x">
@@ -13,7 +13,7 @@
 	</Geometry>
 	<Model>
 		<Param name="VelocityX" value="1m/s" zone="topwall"/>
-		<RemoteForceInterface integrator="LAMMPS" radius="3/m">
+		<RemoteForceInterface integrator="LAMMPS" radius="3/m" height="1m/m" length="1x/m" iterations="5s" vtk_it="1s" log_it="100">
 			units 		cgs
 			boundary 	p f f
 			newton		off # required off for tangential history
@@ -27,14 +27,15 @@
 			neigh_modify  	delay 0
 
 			# Declare domain
-			region		domain block -1 1 0 1 -1 1
+			variable len2 equal ${length}*0.5
+			region		domain block -${len2} ${len2} 0 ${height} -${len2} ${len2}
 			create_box	1 domain
 
 			# Specify particle groups
 			group  particle_group type 1
 
 			# Define region for particle insertion
-			region pack block -1 1 0 1 -1 1
+			region pack block -${len2} ${len2} 0 ${height} -${len2} ${len2}
 
 			# Insert particles
 			fix     part_1 particle_group particletemplate/sphere 17891 atom_type 1 density constant 1.0 radius constant ${radius}
@@ -47,13 +48,13 @@
 
 			# Define material properties (from which kn kt etc. are calculated for hertz interactions)
 			soft_particles yes
-			fix	m1 all property/global youngsModulus peratomtype 3000.000000 # defines kn, kt, gamma_n, gamma_t
+			fix	m1 all property/global youngsModulus peratomtype 30000.000000 # defines kn, kt, gamma_n, gamma_t
 			fix     m2 all property/global poissonsRatio peratomtype 0.5 # defines kn, kt, gamma_n, gamma_t
 			fix	m3 all property/global coefficientRestitution peratomtypepair 1 0.8 # defines damping, must be >0.05
 			fix	m4 all property/global coefficientFriction peratomtypepair 1 0.5 # defines friction
 
-			fix	topwall all mesh/surface/stress file example/data/plane1x1.stl type 1 scale 2 rotate axis 1 0 0 angle 90 move -1 1 -1 surface_vel 1 0 0
-			fix	bottomwall all mesh/surface/stress file example/data/plane1x1.stl type 1 scale 2 rotate axis 1 0 0 angle 90 move -1 0 -1
+			fix	topwall all mesh/surface/stress file example/data/plane1x1.stl type 1 scale ${length} rotate axis 1 0 0 angle 90 move -${len2} ${height} -${len2} surface_vel 1 0 0
+			fix	bottomwall all mesh/surface/stress file example/data/plane1x1.stl type 1 scale ${length} rotate axis 1 0 0 angle 90 move -${len2} 0 -${len2}
 
 			# Define physics for particle interactions
 			pair_style 	gran model hertz tangential history # 'tangential off' sets Ft=0; 'tangential no_history' incorporates damping to Ft, sets kt=0; 'tangential history' incorporate kt and damping into Ft
@@ -74,20 +75,20 @@
 			variable bfx equal f_bottomwall[1]
 			variable bfy equal f_bottomwall[2]
 			variable bfz equal f_bottomwall[3]
-			dump forces all mesh/vtk 1000 ${output}_wall_*.vtk output interpolate id stress stresscomponents
-			fix forceslog all print 100 "${time},${tfx},${tfy},${tfz},${bfx},${bfy},${bfz}" file ${output}_forces.csv title "t,tFx,tFy,tFz,bFx,bFy,bFz" screen no
+			dump forces all mesh/vtk ${vtk_it} ${output}_wall_*.vtk output interpolate id stress stresscomponents
+			fix forceslog all print ${log_it} "${time},${tfx},${tfy},${tfz},${bfx},${bfy},${bfz}" file ${output}_forces.csv title "t,tFx,tFy,tFz,bFx,bFy,bFz" screen no
 
-			dump vtk_dump all atom/vtk 1000 ${output}_part_*.vtu
+			dump vtk_dump all atom/vtk ${vtk_it} ${output}_part_*.vtu
 
 
 			timestep ${timestep}
 
-			run	50000
+			run	${iterations}
 		</RemoteForceInterface>
 	</Model>
 	<!-- <VTK Iterations="1000" what="U,Solid"/> -->
 	<!-- 10s 1.8m/s 0.01Pa 1/Pa-->
-	<Log Iterations="1s"/>
+	<Log Iterations="100"/>
 	<VTK Iterations="5s"/>
-	<Solve Iterations="50000"/>
+	<Solve Iterations="5s"/>
 </CLBConfig>

src/lammps.cpp

@@ -132,12 +132,12 @@ int main(int argc, char* argv[]) {
                         ret = sscanf(value.c_str(),"%lf%n", &val, &len);
                         if ((ret > 0) && (len == value.size())) {
                             is_numeric = true;
-                            fprintf(fp, "variable %s equal %.15lg\n", v.c_str(), val);
+                            fprintf(fp, "variable %s equal %.13lg\n", v.c_str(), val);
                         }
                     }
                     if (!is_numeric) fprintf(fp, "variable %s string %s\n", v.c_str(), value.c_str());
                 }
-                fprintf(fp, "variable timestep equal %.15lg\n", RFI.auto_timestep);
+                fprintf(fp, "variable timestep equal %.13lg\n", RFI.auto_timestep);
                 fprintf(fp, "\n");
                 fprintf(fp, "%s\n", RFI.getVar("content").c_str());
                 fprintf(fp, "\n");