diff --git a/src/fix_deform.cpp b/src/fix_deform.cpp index 652100b16b..4544ac2c3d 100644 --- a/src/fix_deform.cpp +++ b/src/fix_deform.cpp @@ -167,8 +167,10 @@ FixDeform::FixDeform(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) } // read options from end of input line + // no x remap effectively moves atoms within box, so set restart_pbc options(narg-iarg,&arg[iarg]); + if (remapflag != X_REMAP) restart_pbc = 1; // setup dimflags used by other classes to check for volume-change conflicts diff --git a/src/thermo.cpp b/src/thermo.cpp index ea3ee09771..77dd495f95 100644 --- a/src/thermo.cpp +++ b/src/thermo.cpp @@ -1773,4 +1773,3 @@ void Thermo::compute_fnorm() MPI_Allreduce(&dot,&dotall,1,MPI_DOUBLE,MPI_SUM,world); dvalue = sqrt(dotall); } - diff --git a/src/write_restart.cpp b/src/write_restart.cpp index 7b52d53d1a..fc9748fde2 100644 --- a/src/write_restart.cpp +++ b/src/write_restart.cpp @@ -228,7 +228,7 @@ void WriteRestart::write(char *file) x[2] = MAX(x[2],lo[2]); } - if (triclinic) domain->x2lamda(x,x); + if (triclinic) domain->lamda2x(x,x); m += static_cast (buf[m]); } }