Commit f1e03aef authored by Yaser Afshar's avatar Yaser Afshar
Browse files

updating the pair potential docs, adding reference to OpenKIM

parent 3da1e127
Loading
Loading
Loading
Loading
+4 −2
Original line number Diff line number Diff line
@@ -56,8 +56,10 @@ command to specify them.
* The NIST WWW site at http://www.ctcms.nist.gov/potentials.
  Note that ADP potentials obtained from NIST must be converted
  into the extended DYNAMO *setfl* format discussed below.
* The OpenKIM Project at https://openkim.org/browse/models/by-type provides
  ADP potentials that can be used directly in LAMMPS with the :doc:`kim_commands interface <kim_commands>`.
* The OpenKIM Project at
  `https://openkim.org/browse/models/by-type <https://openkim.org/browse/models/by-type>`_
  provides ADP potentials that can be used directly in LAMMPS with the
  :doc:`kim_commands <kim_commands>` interface.

----------

+6 −0
Original line number Diff line number Diff line
@@ -149,6 +149,7 @@ potentials stored in DYNAMO or other formats:
   http://www.ctcms.nist.gov/potentials
   http://cst-www.nrl.navy.mil/ccm6/ap
   http://enpub.fulton.asu.edu/cms/potentials/main/main.htm
   https://openkim.org

These potentials should be usable with LAMMPS, though the alternate
formats would need to be converted to the DYNAMO format used by LAMMPS
@@ -156,6 +157,11 @@ and described on this page. The NIST site is maintained by Chandler
Becker (cbecker at nist.gov) who is good resource for info on
interatomic potentials and file formats.

The OpenKIM Project at
`https://openkim.org/browse/models/by-type <https://openkim.org/browse/models/by-type>`_
provides EAM potentials that can be used directly in LAMMPS with the
:doc:`kim_commands <kim_commands>` interface.

----------

For style *eam*\ , potential values are read from a file that is in the