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updating the pair potential docs, adding reference to OpenKIM

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This commit is contained in:
Yaser Afshar
2020-03-17 16:07:22 -05:00
parent 3da1e127bf
commit f1e03aefc6
2 changed files with 10 additions and 2 deletions
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6
doc/src/pair_adp.rst
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@ -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
doc/src/pair_eam.rst
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@ -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