Commit f8506fee authored by Steve Plimpton's avatar Steve Plimpton
Browse files

sync GHub with SVN

parent 18e55843

doc/src/Manual.txt

+2 −2
Original line number Diff line number Diff line 
<!-- HTML_ONLY -->

<HEAD>

<TITLE>LAMMPS Users Manual</TITLE>

<META NAME="docnumber" CONTENT="20 Jan 2017 version">

<META NAME="docnumber" CONTENT="26 Jan 2017 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

20 Jan 2017 version :c,h4

26 Jan 2017 version :c,h4



Version info: :h4

potentials/WL.meam

0 → 100644
+13 −0
Original line number Diff line number Diff line 
# DATE: 2017-01-25 CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov,  CITATION: Lee, Baskes, Kim, Cho. Phys. Rev. B, 64, 184102 (2001) 

rc = 3.8

delr = 0.1

augt1 = 0

erose_form = 2

zbl(1,1) = 0

nn2(1,1) = 1

Ec(1,1) = 8.66

re(1,1) = 2.74

attrac(1,1) = 0

repuls(1,1) = 0

Cmin(1,1,1) = 0.49

Cmax(1,1,1) = 2.8

src/angle_hybrid.cpp

+1 −1
Original line number Diff line number Diff line
@@ -104,7 +104,7 @@ void AngleHybrid::compute(int eflag, int vflag) 
  // accumulate sub-style global/peratom energy/virial in hybrid



  if (eflag || vflag) ev_setup(eflag,vflag);

  else evflag = 0;

  else evflag = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;



  for (m = 0; m < nstyles; m++) {

    neighbor->nanglelist = nanglelist[m];

src/bond_hybrid.cpp

+1 −1
Original line number Diff line number Diff line
@@ -103,7 +103,7 @@ void BondHybrid::compute(int eflag, int vflag) 
  // accumulate sub-style global/peratom energy/virial in hybrid



  if (eflag || vflag) ev_setup(eflag,vflag);

  else evflag = 0;

  else evflag = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;



  for (m = 0; m < nstyles; m++) {

    neighbor->nbondlist = nbondlist[m];

src/dihedral_hybrid.cpp

+1 −1
Original line number Diff line number Diff line
@@ -105,7 +105,7 @@ void DihedralHybrid::compute(int eflag, int vflag) 
  // accumulate sub-style global/peratom energy/virial in hybrid



  if (eflag || vflag) ev_setup(eflag,vflag);

  else evflag = 0;

  else evflag = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;



  for (m = 0; m < nstyles; m++) {

    neighbor->ndihedrallist = ndihedrallist[m];

CRA Git | Maintained and supported by SUSTech CRA and CCSE