From fca6d721c035b9f5ea2bc4b355acab0c04e89ccb Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 10 Oct 2016 09:16:21 -0400
Subject: [PATCH] completed synchronization with non-threaded version
---
src/USER-OMP/fix_wall_gran_omp.cpp | 37 ++++++++++++++++--------------
1 file changed, 20 insertions(+), 17 deletions(-)
diff --git a/src/USER-OMP/fix_wall_gran_omp.cpp b/src/USER-OMP/fix_wall_gran_omp.cpp
index 6b05b69aa0..55ae8593a7 100644
--- a/src/USER-OMP/fix_wall_gran_omp.cpp
+++ b/src/USER-OMP/fix_wall_gran_omp.cpp
@@ -25,8 +25,8 @@
using namespace LAMMPS_NS;
using namespace FixConst;
-enum{XPLANE=0,YPLANE=1,ZPLANE=2,ZCYLINDER}; // XYZ PLANE need to be 0,1,2
-enum{HOOKE,HOOKE_HISTORY,HERTZ_HISTORY};
+enum{XPLANE=0,YPLANE=1,ZPLANE=2,ZCYLINDER,REGION}; // XYZ PLANE need to be 0,1,2
+enum{HOOKE,HOOKE_HISTORY,HERTZ_HISTORY,BONDED_HISTORY};
#define BIG 1.0e20
@@ -129,14 +129,16 @@ void FixWallGranOMP::post_force(int vflag)
} else if (wallstyle == ZCYLINDER) {
delxy = sqrt(x[i][0]*x[i][0] + x[i][1]*x[i][1]);
delr = cylradius - delxy;
- if (delr > radius[i]) dz = cylradius;
- else {
+ if (delr > radius[i]) {
+ dz = cylradius;
+ rwall = 0.0;
+ } else {
dx = -delr/delxy * x[i][0];
dy = -delr/delxy * x[i][1];
rwall = (delxy < cylradius) ? -2*cylradius : 2*cylradius;
if (wshear && axis != 2) {
- vwall[0] = vshear * x[i][1]/delxy;
- vwall[1] = -vshear * x[i][0]/delxy;
+ vwall[0] += vshear * x[i][1]/delxy;
+ vwall[1] += -vshear * x[i][0]/delxy;
vwall[2] = 0.0;
}
}
@@ -145,11 +147,10 @@ void FixWallGranOMP::post_force(int vflag)
rsq = dx*dx + dy*dy + dz*dz;
if (rsq > radius[i]*radius[i]) {
- if (pairstyle != HOOKE) {
- shearone[i][0] = 0.0;
- shearone[i][1] = 0.0;
- shearone[i][2] = 0.0;
- }
+ if (history)
+ for (int j = 0; j < sheardim; j++)
+ shearone[i][j] = 0.0;
+
} else {
// meff = effective mass of sphere
@@ -158,18 +159,20 @@ void FixWallGranOMP::post_force(int vflag)
double meff = rmass[i];
if (fix_rigid && mass_rigid[i] > 0.0) meff = mass_rigid[i];
- // inovke sphere/wall interaction
+ // invoke sphere/wall interaction
if (pairstyle == HOOKE)
- hooke(rsq,dx,dy,dz,vwall,v[i],f[i],omega[i],torque[i],
- radius[i],meff);
+ hooke(rsq,dx,dy,dz,vwall,v[i],f[i],
+ omega[i],torque[i],radius[i],meff);
else if (pairstyle == HOOKE_HISTORY)
- hooke_history(rsq,dx,dy,dz,vwall,v[i],f[i],omega[i],torque[i],
- radius[i],meff,shearone[i]);
+ hooke_history(rsq,dx,dy,dz,vwall,v[i],f[i],
+ omega[i],torque[i],radius[i],meff,shearone[i]);
else if (pairstyle == HERTZ_HISTORY)
hertz_history(rsq,dx,dy,dz,vwall,rwall,v[i],f[i],
omega[i],torque[i],radius[i],meff,shearone[i]);
-
+ else if (pairstyle == BONDED_HISTORY)
+ bonded_history(rsq,dx,dy,dz,vwall,rwall,v[i],f[i],
+ omega[i],torque[i],radius[i],meff,shearone[i]);
}
}
}
--
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