diff --git a/doc/Manual.html b/doc/Manual.html index fd10e1aedf..c137f75a61 100644 --- a/doc/Manual.html +++ b/doc/Manual.html @@ -1,7 +1,7 @@ LAMMPS-ICMS Users Manual - + @@ -22,7 +22,7 @@

LAMMPS-ICMS Documentation

-

28 Apr 2015 version +

30 Apr 2015 version

Version info:

diff --git a/doc/Manual.txt b/doc/Manual.txt index 7baab241bf..b226c3e7ce 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 -28 Apr 2015 version :c,h4 +30 Apr 2015 version :c,h4 Version info: :h4 diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp index a1a383654c..a4aa9bb19b 100644 --- a/src/RIGID/fix_rigid_small.cpp +++ b/src/RIGID/fix_rigid_small.cpp @@ -2658,6 +2658,12 @@ void FixRigidSmall::set_molecule(int nlocalprev, tagint tagprev, int imol, double ctr2com[3],ctr2com_rotate[3]; double rotmat[3][3]; + // increment total # of rigid bodies + + nbody++; + + // loop over atoms I added for the new body + int nlocal = atom->nlocal; if (nlocalprev == nlocal) return; @@ -2715,10 +2721,6 @@ void FixRigidSmall::set_molecule(int nlocalprev, tagint tagprev, int imol, nlocal_body++; } } - - // increment total # of rigid bodies - - nbody++; } /* ---------------------------------------------------------------------- diff --git a/src/compute_pressure.cpp b/src/compute_pressure.cpp index 2fe7ca49fd..d4a3109ea9 100644 --- a/src/compute_pressure.cpp +++ b/src/compute_pressure.cpp @@ -285,7 +285,7 @@ void ComputePressure::virial_compute(int n, int ndiag) if (kspace_virial) for (i = 0; i < n; i++) virial[i] += kspace_virial[i]; - // LJ long-range tail correction + // LJ long-range tail correction, only if pair contributions are included if (force->pair && pairflag && force->pair->tail_flag) for (i = 0; i < ndiag; i++) virial[i] += force->pair->ptail * inv_volume; diff --git a/src/version.h b/src/version.h index b422835a47..9c1d25468c 100644 --- a/src/version.h +++ b/src/version.h @@ -1 +1 @@ -#define LAMMPS_VERSION "28 Apr 2015" +#define LAMMPS_VERSION "30 Apr 2015"