git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7626 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/Section_intro.html

@@ -155,13 +155,13 @@ commands)
 <LI>  polymer potentials: all-atom, united-atom, bead-spring, breakable
 <LI>  water potentials: TIP3P, TIP4P, SPC
 <LI>  implicit solvent potentials: hydrodynamic lubrication, Debye
+<LI>  <A HREF = "http://openkim.org">KIM archive</A> of potentials
 <LI>  long-range Coulombics and dispersion: Ewald, Wolf,     PPPM (similar to particle-mesh Ewald), Ewald/N for long-range Lennard-Jones
 <LI>  force-field compatibility with common CHARMM, AMBER, DREIDING, OPLS, GROMACS, COMPASS options
 <LI>  handful of GPU-enabled pair styles
+<LI>  hybrid potentials: multiple pair, bond, angle, dihedral, improper     potentials can be used in one simulation
+<LI>  overlaid potentials: superposition of multiple pair potentials 
 </UL>
-<P>  hybrid potentials: multiple pair, bond, angle, dihedral, improper     potentials can be used in one simulation
-  overlaid potentials: superposition of multiple pair potentials
-</P>
 <H4>Atom creation 
 </H4>
 <P>(<A HREF = "read_data.html">read_data</A>, <A HREF = "lattice.html">lattice</A>,

doc/Section_intro.txt

@@ -154,13 +154,14 @@ commands)
   polymer potentials: all-atom, united-atom, bead-spring, breakable
   water potentials: TIP3P, TIP4P, SPC
   implicit solvent potentials: hydrodynamic lubrication, Debye
+  "KIM archive"_http://openkim.org of potentials
   long-range Coulombics and dispersion: Ewald, Wolf, \
     PPPM (similar to particle-mesh Ewald), Ewald/N for long-range Lennard-Jones
   force-field compatibility with common CHARMM, AMBER, DREIDING, OPLS, GROMACS, COMPASS options
-  handful of GPU-enabled pair styles :ul
+  handful of GPU-enabled pair styles
   hybrid potentials: multiple pair, bond, angle, dihedral, improper \
     potentials can be used in one simulation
-  overlaid potentials: superposition of multiple pair potentials
+  overlaid potentials: superposition of multiple pair potentials :ul
 
 Atom creation :h4
 ("read_data"_read_data.html, "lattice"_lattice.html,

doc/Section_packages.html

@@ -50,7 +50,8 @@ packages, more details are provided.
 <TR ALIGN="center"><TD >DIPOLE</TD><TD > point dipole particles</TD><TD > -</TD><TD > <A HREF = "pair_dipole.html">pair_style dipole/cut</A></TD><TD > dipole</TD><TD > -</TD></TR>
 <TR ALIGN="center"><TD >FLD</TD><TD > Fast Lubrication Dynamics</TD><TD > Kumar & Bybee & Higdon (1)</TD><TD > <A HREF = "pair_lubricateU.html">pair_style lubricateU</A></TD><TD > -</TD><TD > -</TD></TR>
 <TR ALIGN="center"><TD >GPU</TD><TD > GPU-enabled potentials</TD><TD > Mike Brown (ORNL)</TD><TD > <A HREF = "Section_accelerate.html#acc_3">Section accelerate</A></TD><TD > gpu</TD><TD > lib/gpu</TD></TR>
-<TR ALIGN="center"><TD >GRANULAR</TD><TD > granular systems</TD><TD > -</TD><TD > <A HREF = "Section_howto.html#howto_6">howto</A></TD><TD > pour</TD><TD > -</TD></TR>
+<TR ALIGN="center"><TD >GRANULAR</TD><TD > granular systems</TD><TD > -</TD><TD > <A HREF = "Section_howto.html#howto_6<A HREF = "pair_kim.html">>howto</A></TD><TD > pour</TD><TD > -</TD></TR>
+<TR ALIGN="center"><TD >KIM</TD><TD > openKIM potentials</TD><TD > Smirichinski & Elliot & Tadmor (3)</TD><TD > pair_style kim</A></TD><TD > kim</TD><TD > lib/kim</TD></TR>
 <TR ALIGN="center"><TD >KSPACE</TD><TD > long-range Coulombic solvers</TD><TD > -</TD><TD > <A HREF = "kspace_style.html">kspace_style</A></TD><TD > peptide</TD><TD > -</TD></TR>
 <TR ALIGN="center"><TD >MANYBODY</TD><TD > many-body potentials</TD><TD > -</TD><TD > <A HREF = "pair_tersoff.html">pair_style tersoff</A></TD><TD > shear</TD><TD > -</TD></TR>
 <TR ALIGN="center"><TD >MEAM</TD><TD > modified EAM potential</TD><TD > Greg Wagner (Sandia)</TD><TD > <A HREF = "pair_meam.html">pair_style meam</A></TD><TD > meam</TD><TD > lib/meam</TD></TR>
@@ -77,6 +78,9 @@ Jonathan Higdon's group at UIUC.
 Technologies), David Richie, and Vincent Natoli (Stone Ridge
 Technolgy).
 </P>
+<P>(3) The KIM package was created by Valeriu Smirichinski, Ryan Elliott,
+and Ellad Tadmor (U Minn).
+</P>
 <P>The "Doc page" column links to either a portion of the
 <A HREF = "Section_howto.html">Section_howto</A> of the manual, or an input script
 command implemented as part of the package.

doc/Section_packages.txt

@@ -46,6 +46,7 @@ DIPOLE, point dipole particles, -, "pair_style dipole/cut"_pair_dipole.html, dip
 FLD, Fast Lubrication Dynamics, Kumar & Bybee & Higdon (1), "pair_style lubricateU"_pair_lubricateU.html, -, -
 GPU, GPU-enabled potentials, Mike Brown (ORNL), "Section accelerate"_Section_accelerate.html#acc_3, gpu, lib/gpu
 GRANULAR, granular systems, -, "howto"_Section_howto.html#howto_6, pour, -
+KIM, openKIM potentials, Smirichinski & Elliot & Tadmor (3), pair_style kim"_pair_kim.html, kim, lib/kim
 KSPACE, long-range Coulombic solvers, -, "kspace_style"_kspace_style.html, peptide, -
 MANYBODY, many-body potentials, -, "pair_style tersoff"_pair_tersoff.html, shear, -
 MEAM, modified EAM potential, Greg Wagner (Sandia), "pair_style meam"_pair_meam.html, meam, lib/meam
@@ -71,6 +72,9 @@ Jonathan Higdon's group at UIUC.
 Technologies), David Richie, and Vincent Natoli (Stone Ridge
 Technolgy).
 
+(3) The KIM package was created by Valeriu Smirichinski, Ryan Elliott,
+and Ellad Tadmor (U Minn).
+
 The "Doc page" column links to either a portion of the
 "Section_howto"_Section_howto.html of the manual, or an input script
 command implemented as part of the package.

doc/Section_start.html

@@ -637,10 +637,10 @@ type "make package" to see all of the package-related make options.
 
 <P>A few of the standard and user packages require additional auxiliary
 libraries to be compiled first.  If you get a LAMMPS build error about
-a missing library, this is likely the reason.  The source code for
+a missing library, this is likely the reason.  The source code or
-these libraries is included in the LAMMPS distribution under the "lib"
+hooks to these libraries is included in the LAMMPS distribution under
-directory.  Look at the lib/README file for a list of these or see
+the "lib" directory.  Look at the lib/README file for a list of these
-<A HREF = "Section_packages.html">Section_packages</A> of the doc pages.
+or see <A HREF = "Section_packages.html">Section_packages</A> of the doc pages.
 </P>
 <P>Each lib directory has a README file (e.g. lib/reax/README) with
 instructions on how to build that library.  Typically this is done 
@@ -649,13 +649,16 @@ in this manner:
 <PRE>make -f Makefile.g++ 
 </PRE>
 <P>in the appropriate directory, e.g. in lib/reax.  Some of the libraries
-do not build this way.  Again, see the libary README file for details.
+do not build this way.  Some of the directories do not even have
+source code for the library, since you are expected to download and
+build it separately.  Again, see the libary README file for details.
 </P>
-<P>In any event, you will need to use a Makefile that is a match for your
+<P>If you are building the library, you will need to use a Makefile that
-system.  If one of the provided Makefiles is not appropriate for your
+is a match for your system.  If one of the provided Makefiles is not
-system you will need to edit or add one.  For example, in the case of
+appropriate for your system you will need to edit or add one.  For
-Fortran-based libraries, your system must have a Fortran compiler, the
+example, in the case of Fortran-based libraries, your system must have
-settings for which will need to be listed in the Makefile.
+a Fortran compiler, the settings for which will need to be listed in
+the Makefile.
 </P>
 <P>When you have built one of these libraries, there are 2 things to
 check:

doc/Section_start.txt

@@ -631,10 +631,10 @@ type "make package" to see all of the package-related make options.
 
 A few of the standard and user packages require additional auxiliary
 libraries to be compiled first.  If you get a LAMMPS build error about
-a missing library, this is likely the reason.  The source code for
+a missing library, this is likely the reason.  The source code or
-these libraries is included in the LAMMPS distribution under the "lib"
+hooks to these libraries is included in the LAMMPS distribution under
-directory.  Look at the lib/README file for a list of these or see
+the "lib" directory.  Look at the lib/README file for a list of these
-"Section_packages"_Section_packages.html of the doc pages.
+or see "Section_packages"_Section_packages.html of the doc pages.
 
 Each lib directory has a README file (e.g. lib/reax/README) with
 instructions on how to build that library.  Typically this is done 
@@ -643,13 +643,16 @@ in this manner:
 make -f Makefile.g++ :pre
 
 in the appropriate directory, e.g. in lib/reax.  Some of the libraries
-do not build this way.  Again, see the libary README file for details.
+do not build this way.  Some of the directories do not even have
+source code for the library, since you are expected to download and
+build it separately.  Again, see the libary README file for details.
 
-In any event, you will need to use a Makefile that is a match for your
+If you are building the library, you will need to use a Makefile that
-system.  If one of the provided Makefiles is not appropriate for your
+is a match for your system.  If one of the provided Makefiles is not
-system you will need to edit or add one.  For example, in the case of
+appropriate for your system you will need to edit or add one.  For
-Fortran-based libraries, your system must have a Fortran compiler, the
+example, in the case of Fortran-based libraries, your system must have
-settings for which will need to be listed in the Makefile.
+a Fortran compiler, the settings for which will need to be listed in
+the Makefile.
 
 When you have built one of these libraries, there are 2 things to
 check: