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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms

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Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
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Axel Kohlmeyer
2015-05-01 06:46:28 -04:00
parent 69f51bc5f4 682950268b
commit 17b6d21e20
5 changed files with 12 additions and 10 deletions
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4
doc/Manual.html
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@ -1,7 +1,7 @@
<HTML>
<HEAD>
<TITLE>LAMMPS-ICMS Users Manual</TITLE>
<META NAME="docnumber" CONTENT="28 Apr 2015 version">
<META NAME="docnumber" CONTENT="30 Apr 2015 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>
@ -22,7 +22,7 @@
<CENTER><H3>LAMMPS-ICMS Documentation
</H3></CENTER>
<CENTER><H4>28 Apr 2015 version
<CENTER><H4>30 Apr 2015 version
</H4></CENTER>
<H4>Version info:
</H4>

4
doc/Manual.txt
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@ -1,6 +1,6 @@
<HEAD>
<TITLE>LAMMPS-ICMS Users Manual</TITLE>
<META NAME="docnumber" CONTENT="28 Apr 2015 version">
<META NAME="docnumber" CONTENT="30 Apr 2015 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>
@ -18,7 +18,7 @@
<H1></H1>
LAMMPS-ICMS Documentation :c,h3
28 Apr 2015 version :c,h4
30 Apr 2015 version :c,h4
Version info: :h4

10
src/RIGID/fix_rigid_small.cpp
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@ -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++;
}
/* ----------------------------------------------------------------------

2
src/compute_pressure.cpp
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@ -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;

2
src/version.h
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@ -1 +1 @@
#define LAMMPS_VERSION "28 Apr 2015"
#define LAMMPS_VERSION "30 Apr 2015"