diff --git a/doc/Manual.html b/doc/Manual.html index 64978c07c6..391af4c8d9 100644 --- a/doc/Manual.html +++ b/doc/Manual.html @@ -1,7 +1,7 @@ LAMMPS-ICMS Users Manual - + @@ -22,7 +22,7 @@

LAMMPS-ICMS Documentation

-

11 Apr 2015 version +

16 Apr 2015 version

Version info:

diff --git a/doc/Manual.txt b/doc/Manual.txt index 5ed40a55a8..92ec1a286d 100644 --- a/doc/Manual.txt +++ b/doc/Manual.txt @@ -1,6 +1,6 @@ LAMMPS-ICMS Users Manual - + @@ -18,7 +18,7 @@

LAMMPS-ICMS Documentation :c,h3 -11 Apr 2015 version :c,h4 +16 Apr 2015 version :c,h4 Version info: :h4 diff --git a/src/RIGID/fix_rigid_nh_small.cpp b/src/RIGID/fix_rigid_nh_small.cpp index bd3bfc64cd..75a4416e8f 100644 --- a/src/RIGID/fix_rigid_nh_small.cpp +++ b/src/RIGID/fix_rigid_nh_small.cpp @@ -741,7 +741,7 @@ void FixRigidNHSmall::final_integrate() // include Langevin thermostat forces // fflag,tflag = 0 for some dimensions in 2d - for (ibody = 0; ibody < nbody; ibody++) { + for (ibody = 0; ibody < nlocal_body; ibody++) { Body *b = &body[ibody]; // update vcm by 1/2 step diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp index 8368d68cbf..a1a383654c 100644 --- a/src/RIGID/fix_rigid_small.cpp +++ b/src/RIGID/fix_rigid_small.cpp @@ -1459,6 +1459,16 @@ void FixRigidSmall::create_bodies() frsptr = this; comm->ring(m,sizeof(double),buf,1,ring_bbox,NULL); + // check if any bbox is size 0.0, meaning rigid body is a single particle + + flag = 0; + for (i = 0; i < n; i++) + if (bbox[i][0] == bbox[i][1] && bbox[i][2] == bbox[i][3] && + bbox[i][4] == bbox[i][5]) flag = 1; + MPI_Allreduce(&flag,&flagall,1,MPI_INT,MPI_SUM,world); + if (flagall) + error->all(FLERR,"One or more rigid bodies are a single particle"); + // ctr = center pt of each rigid body my atoms are part of memory->create(ctr,n,6,"rigid/small:bbox"); diff --git a/src/read_data.cpp b/src/read_data.cpp index bee4aa29cd..0fb388f14d 100644 --- a/src/read_data.cpp +++ b/src/read_data.cpp @@ -595,12 +595,14 @@ void ReadData::command(int narg, char **arg) // do not use irregular() comm, which would not lose atoms, // b/c then user could specify data file box as far too big and empty // do comm->init() but not comm->setup() b/c pair/neigh cutoffs not yet set + // need call to map_set() b/c comm->exchange clears atom map if (domain->nonperiodic == 2) { if (domain->triclinic) domain->x2lamda(atom->nlocal); domain->reset_box(); comm->init(); comm->exchange(); + if (atom->map_style) atom->map_set(); if (domain->triclinic) domain->lamda2x(atom->nlocal); bigint natoms; diff --git a/src/version.h b/src/version.h index b57a8fef40..68c62a5c43 100644 --- a/src/version.h +++ b/src/version.h @@ -1 +1 @@ -#define LAMMPS_VERSION "11 Apr 2015" +#define LAMMPS_VERSION "16 Apr 2015"