From 154eb1f886fdeaf01419934d69025845b5839952 Mon Sep 17 00:00:00 2001
From: athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 23 Mar 2016 16:09:54 +0000
Subject: [PATCH] Updated Adri's contact info
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14784 f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
doc/pair_reax.txt | 12 ++++++------
doc/pair_reax_c.txt | 12 ++++++------
2 files changed, 12 insertions(+), 12 deletions(-)
diff --git a/doc/pair_reax.txt b/doc/pair_reax.txt
index 497c790874..dd142d8d53 100644
--- a/doc/pair_reax.txt
+++ b/doc/pair_reax.txt
@@ -52,16 +52,16 @@ value other than "ffield.reax" will be rejected (see below).
LAMMPS provides several different versions of ffield.reax in its
potentials dir, each called potentials/ffield.reax.label. These are
documented in potentials/README.reax. The default ffield.reax
-contains parameterizations for the following elements: C, H, O, N, S.
+contains parameterizations for the following elements: C, H, O, N.
NOTE: We do not distribute a wide variety of ReaxFF force field files
with LAMMPS. Adri van Duin's group at PSU is the central repository
for this kind of data as they are continuously deriving and updating
-parameterizations for different classes of materials. You can visit
-their WWW site at
-"http://www.engr.psu.edu/adri"_http://www.engr.psu.edu/adri, register
-as a "new user", and then submit a request to their group describing
-material(s) you are interested in modeling with ReaxFF. They can tell
+parameterizations for different classes of materials. You can submit
+a contact request at the Materials Computation Center (MCC) website
+"https://www.mri.psu.edu/materials-computation-center/connect-mcc"_https://www.mri.psu.edu/materials-computation-center/connect-mcc,
+describing the material(s) you are interested in modeling with ReaxFF.
+They can tell
you what is currently available or what it would take to create a
suitable ReaxFF parameterization.
diff --git a/doc/pair_reax_c.txt b/doc/pair_reax_c.txt
index 7b3db73776..95d39759be 100644
--- a/doc/pair_reax_c.txt
+++ b/doc/pair_reax_c.txt
@@ -51,7 +51,7 @@ a package.
LAMMPS provides several different versions of ffield.reax in its
potentials dir, each called potentials/ffield.reax.label. These are
documented in potentials/README.reax. The default ffield.reax
-contains parameterizations for the following elements: C, H, O, N, S.
+contains parameterizations for the following elements: C, H, O, N.
The format of these files is identical to that used originally by van
Duin. We have tested the accuracy of {pair_style reax/c} potential
@@ -63,11 +63,11 @@ tested).
NOTE: We do not distribute a wide variety of ReaxFF force field files
with LAMMPS. Adri van Duin's group at PSU is the central repository
for this kind of data as they are continuously deriving and updating
-parameterizations for different classes of materials. You can visit
-their WWW site at
-"http://www.engr.psu.edu/adri"_http://www.engr.psu.edu/adri, register
-as a "new user", and then submit a request to their group describing
-material(s) you are interested in modeling with ReaxFF. They can tell
+parameterizations for different classes of materials. You can submit
+a contact request at the Materials Computation Center (MCC) website
+"https://www.mri.psu.edu/materials-computation-center/connect-mcc"_https://www.mri.psu.edu/materials-computation-center/connect-mcc,
+describing the material(s) you are interested in modeling with ReaxFF.
+They can tell
you what is currently available or what it would take to create a
suitable ReaxFF parameterization.
--
GitLab