diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt index 2f957eb1136715b6764a0e9213fce8c78ac546a2..2a95c9633b399b2087b9fcafbc5da2df0844166d 100644 --- a/doc/src/Manual.txt +++ b/doc/src/Manual.txt @@ -1,7 +1,7 @@ <!-- HTML_ONLY --> <HEAD> <TITLE>LAMMPS Users Manual</TITLE> -<META NAME="docnumber" CONTENT="8 Mar 2018 version"> +<META NAME="docnumber" CONTENT="16 Mar 2018 version"> <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories"> <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License."> </HEAD> @@ -21,7 +21,7 @@ <H1></H1> LAMMPS Documentation :c,h3 -8 Mar 2018 version :c,h4 +16 Mar 2018 version :c,h4 Version info: :h4 diff --git a/src/compute_chunk_atom.cpp b/src/compute_chunk_atom.cpp index b1453a2a119902e110e9260888f2c9467acc064c..6a81b181cf50a6f13602ccc35fc89cf8475b3ecb 100644 --- a/src/compute_chunk_atom.cpp +++ b/src/compute_chunk_atom.cpp @@ -1804,18 +1804,18 @@ void ComputeChunkAtom::atom2binsphere() xremap = x[i][0]; if (periodicity[0]) { - if (xremap < boxlo[0]) xremap += prd[0]; - if (xremap >= boxhi[0]) xremap -= prd[0]; + while (xremap < boxlo[0]) {xremap += prd[0];} + while (xremap >= boxhi[0]) {xremap -= prd[0];} } yremap = x[i][1]; if (periodicity[1]) { - if (yremap < boxlo[1]) yremap += prd[1]; - if (yremap >= boxhi[1]) yremap -= prd[1]; + while (yremap < boxlo[1]) {yremap += prd[1];} + while (yremap >= boxhi[1]) {yremap -= prd[1];} } zremap = x[i][2]; if (periodicity[2]) { - if (zremap < boxlo[2]) zremap += prd[2]; - if (zremap >= boxhi[2]) zremap -= prd[2]; + while (zremap < boxlo[2]) {zremap += prd[2];} + while (zremap >= boxhi[2]) {zremap -= prd[2];} } dx = xremap - sorigin[0]; @@ -1829,19 +1829,19 @@ void ComputeChunkAtom::atom2binsphere() if (pbcflag) { if (periodicity[0]) { - if (fabs(dx) > prd_half[0]) { + while (fabs(dx) > prd_half[0]) { if (dx < 0.0) dx += prd[0]; else dx -= prd[0]; } } if (periodicity[1]) { - if (fabs(dy) > prd_half[1]) { + while (fabs(dy) > prd_half[1]) { if (dy < 0.0) dy += prd[1]; else dy -= prd[1]; } } if (periodicity[2]) { - if (fabs(dz) > prd_half[2]) { + while (fabs(dz) > prd_half[2]) { if (dz < 0.0) dz += prd[2]; else dz -= prd[2]; } diff --git a/src/version.h b/src/version.h index 2ca19eaed785dbe47375b6f878c9b0242626cba8..642b6120a77d97766157fb3e3d2a4e389b31c619 100644 --- a/src/version.h +++ b/src/version.h @@ -1 +1 @@ -#define LAMMPS_VERSION "8 Mar 2018" +#define LAMMPS_VERSION "16 Mar 2018"