diff --git a/doc/Manual.pdf b/doc/Manual.pdf
index 3ea771f35e1c509f0e58b257f39b14664fbb9550..b474f1512b65e53e932f0c697d8a5aa3157b8733 100644
Binary files a/doc/Manual.pdf and b/doc/Manual.pdf differ
diff --git a/src/cfd_datacoupling.cpp b/src/cfd_datacoupling.cpp
index a1c6a29301804fd6c02bd7f83c72278c52faf703..f3f4a91dcd1d490854dc0773474b170d56c54c57 100644
--- a/src/cfd_datacoupling.cpp
+++ b/src/cfd_datacoupling.cpp
@@ -57,6 +57,10 @@ CfdDatacoupling::CfdDatacoupling(class LAMMPS *lmp, int jarg,int narg, char **ar
pushtypes_ = NULL;
pushinvoked_ = NULL;
pullinvoked_ = NULL;
+
+ ms_ = NULL;
+ ms_data_ = NULL;
+
grow_();
}
@@ -76,12 +80,9 @@ void CfdDatacoupling::init()
{
// multisphere - can be NULL
FixMultisphere *fix_multisphere;
- fix_multisphere = static_cast<FixMultisphere*>(modify->find_fix_style_strict("multisphere",0));
+ ms_ = static_cast<FixMultisphere*>(modify->find_fix_style_strict("multisphere",0));
- if(!fix_multisphere)
- ms_data_ = NULL;
- else
- ms_data_ = &fix_multisphere->data();
+ if(ms_) ms_data_ = &ms_->data();
// empty list of requested properties
// models do their init afterwards so list will be filled
@@ -207,6 +208,7 @@ void CfdDatacoupling::check_datatransfer()
void CfdDatacoupling::add_pull_property(char *name,char *type)
{
+
if(strlen(name) >= MAXLENGTH) error->all(FLERR,"Fix couple/cfd: Maximum string length for a variable exceeded");
if(npull_ >= nvalues_max_) grow_();
@@ -218,6 +220,16 @@ void CfdDatacoupling::add_pull_property(char *name,char *type)
error->all(FLERR,"Properties added via CfdDatacoupling::add_pull_property are inconsistent");
}
+ // test if property is available
+
+ int len1,len2;
+ void *ptr = find_pull_property(name,type,len1,len2);
+ if (atom->nlocal && (!ptr || len1 < 0 || len2 < 0))
+ {
+ if(screen) fprintf(screen,"Property %s added via CfdDatacoupling::add_pull_property not found.\n",name);
+ error->one(FLERR,"This is fatal");
+ }
+
strcpy(pullnames_[npull_],name);
strcpy(pulltypes_[npull_],type);
npull_++;
@@ -229,6 +241,7 @@ void CfdDatacoupling::add_pull_property(char *name,char *type)
void CfdDatacoupling::add_push_property(char *name,char *type)
{
+
if(strlen(name) >= MAXLENGTH)
error->all(FLERR,"Fix couple/cfd: Maximum string length for a variable exceeded");
if(npush_ >= nvalues_max_) grow_();
@@ -241,6 +254,16 @@ void CfdDatacoupling::add_push_property(char *name,char *type)
error->all(FLERR,"Properties added via CfdDatacoupling::add_push_property are inconsistent");
}
+ // test if property is available
+
+ int len1,len2;
+ void *ptr = find_push_property(name,type,len1,len2);
+ if (atom->nlocal && (!ptr || len1 < 0 || len2 < 0))
+ {
+ if(screen) fprintf(screen,"Property %s added via CfdDatacoupling::add_push_property not found.\n",name);
+ error->one(FLERR,"This is fatal");
+ }
+
strcpy(pushnames_[npush_],name);
strcpy(pushtypes_[npush_],type);
npush_++;
@@ -287,13 +310,12 @@ void* CfdDatacoupling::find_property(int push,char *name,char *type,int &len1,in
}
// possiblility 2
- // may come from a fix rigid/multisphere
+ // may come from a fix multisphere
// also handles scalar-multisphere and vector-multisphere
- if(ms_data_)
+ if(ms_)
{
- ptr = ms_data_->extract(name,len1,len2);
-
+ ptr = ms_->extract(name,len1,len2);
if((strcmp(type,"scalar-multisphere") == 0) && (len2 != 1) || (strcmp(type,"vector-multisphere") == 0) && (len2 != 3))
return NULL;
diff --git a/src/cfd_datacoupling.h b/src/cfd_datacoupling.h
index 52ee7a193a88706d862bd0c09a503224c15e5b11..7a816abd04e4d8c8649466292471f2fc3f4bb3fc 100644
--- a/src/cfd_datacoupling.h
+++ b/src/cfd_datacoupling.h
@@ -100,6 +100,7 @@ class CfdDatacoupling : protected Pointers {
class FixCfdCoupling *fc_;
// multisphere
+ class FixMultisphere *ms_;
class MultisphereParallel *ms_data_;
};
diff --git a/src/cfd_datacoupling_mpi.h b/src/cfd_datacoupling_mpi.h
index 8baab0d8a18a4f585bafbc24f4502e93421e187f..9f733e3ddecc3faaed5a27840d93848e0ae0ad49 100644
--- a/src/cfd_datacoupling_mpi.h
+++ b/src/cfd_datacoupling_mpi.h
@@ -116,7 +116,7 @@ void CfdDatacouplingMPI::pull_mpi(char *name,char *type,void *&from)
if(!ms_data_)
error->one(FLERR,"Transferring a multisphere property from/to LIGGGHTS requires a fix rigid/multisphere");
for (int i = 0; i < len1; i++)
- if ((m = ms_data_->map(i)) >= 0)
+ if ((m = ms_data_->map(i+1)) >= 0)
to_t[m] = allred[i];
}
else if(strcmp(type,"vector-multisphere") == 0)
@@ -125,7 +125,7 @@ void CfdDatacouplingMPI::pull_mpi(char *name,char *type,void *&from)
if(!ms_data_)
error->one(FLERR,"Transferring a multisphere property from/to LIGGGHTS requires a fix rigid/multisphere");
for (int i = 0; i < len1; i++)
- if ((m = ms_data_->map(i)) >= 0)
+ if ((m = ms_data_->map(i+1)) >= 0)
for (int j = 0; j < len2; j++)
to_t[m][j] = allred[i*len2 + j];
}
@@ -156,6 +156,7 @@ void CfdDatacouplingMPI::push_mpi(char *name,char *type,void *&to)
if (atom->nlocal && (!from || len1 < 0 || len2 < 0))
{
+
if(screen) fprintf(screen,"LIGGGHTS could not find property %s to write data from calling program to.\n",name);
lmp->error->one(FLERR,"This is fatal");
}
@@ -197,7 +198,7 @@ void CfdDatacouplingMPI::push_mpi(char *name,char *type,void *&to)
for (int i = 0; i < nbodies; i++) // loops over # local bodies
{
id = ms_data_->tag(i);
- allred[id] = from_t[i];
+ allred[id-1] = from_t[i];
}
}
else if(strcmp(type,"vector-multisphere") == 0)
@@ -209,8 +210,12 @@ void CfdDatacouplingMPI::push_mpi(char *name,char *type,void *&to)
{
id = ms_data_->tag(i);
for (int j = 0; j < len2; j++)
- allred[id*len2 + j] = from_t[i][j];
+ {
+ allred[(id-1)*len2 + j] = from_t[i][j];
+
+ }
}
+
}
else if(strcmp(type,"scalar-global") == 0 || strcmp(type,"vector-global") == 0 || strcmp(type,"matrix-global") == 0)
{
diff --git a/src/fix_dummy.h b/src/fix_dummy.h
index 6a97a2ca3682c8b93fb47e179b673729b8fd9889..86e56291b549173530c839bb368ad076cddc0d7f 100644
--- a/src/fix_dummy.h
+++ b/src/fix_dummy.h
@@ -45,6 +45,8 @@ class FixMultisphere : public Fix {
void set_v_integrate(double *v) {}
int belongs_to(int i) {return -1;}
+ void* extract(char*& a, int& b, int& c) {return NULL;}
+
int calc_n_steps(int iatom,double *p_ref,double *normalvec,double *v_normal)
{ return 0; }
diff --git a/src/fix_wall_gran.cpp b/src/fix_wall_gran.cpp
index d1ff340305f7f1618d6c8bf914c9c665aa0175b5..c3c22d255973fc53c671f72d6d288a873d970f2f 100644
--- a/src/fix_wall_gran.cpp
+++ b/src/fix_wall_gran.cpp
@@ -670,7 +670,7 @@ void FixWallGran::post_force_primitive(int vflag)
if(deltan > 0.)
{
- vectorZeroizeN(c_history[iPart],dnum_);
+ if(c_history) vectorZeroizeN(c_history[iPart],dnum_);
}
else
{
@@ -680,7 +680,7 @@ void FixWallGran::post_force_primitive(int vflag)
vectorCross3D(shearAxisVec_,rdist,v_wall);
}
- post_force_eval_contact(iPart,deltan,delta,v_wall,c_history[iPart],NULL);
+ post_force_eval_contact(iPart,deltan,delta,v_wall,c_history?c_history[iPart]:0,NULL);
}
}
}
diff --git a/src/vector_liggghts.h b/src/vector_liggghts.h
index 43d2133a3aec2cfb19942bd3405567df41634dd1..22d536e56c494beff322d22671fed21350935f81 100644
--- a/src/vector_liggghts.h
+++ b/src/vector_liggghts.h
@@ -419,7 +419,7 @@ inline void printVecN(FILE *out,char *name, int *vec, int n)
{
fprintf(out," vector %s:\n",name);
for(int i = 0; i < n; i++)
- fprintf(out,"%d \n",vec[i]);
+ fprintf(out,"%d ",vec[i]);
fprintf(out,"\n");
}
diff --git a/src/version_liggghts.h b/src/version_liggghts.h
index 7d7d3a294c6828047c393ef39edced8663f66875..e1a70f113f92d95deed711b4d6b0c33d468fb1a2 100644
--- a/src/version_liggghts.h
+++ b/src/version_liggghts.h
@@ -1 +1 @@
-#define LIGGGHTS_VERSION "LIGGGHTS-PUBLIC 2.3.1, compiled 2013-03-28-21:52:06 by ckloss"
+#define LIGGGHTS_VERSION "LIGGGHTS-PUBLIC 2.3.2, compiled 2013-03-29-16:39:37 by ckloss"
diff --git a/src/version_liggghts.txt b/src/version_liggghts.txt
index 2bf1c1ccf363acd53eaf92ef33a7f11f5f4557c2..f90b1afc082fd7893e2baff542cf85cfb803c551 100644
--- a/src/version_liggghts.txt
+++ b/src/version_liggghts.txt
@@ -1 +1 @@
-2.3.1
+2.3.2