git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5865 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/fix_qeq_comb.html

@@ -38,12 +38,14 @@
 </PRE>
 <P><B>Description:</B>
 </P>
-<P>This fix is designed for use with the pair_style comb command which
-implements the COMB COMB (Charge-Optimized Many-Body) potential as
-described in <A HREF = "#COMB_1">(COMB_1)</A> and <A HREF = "#COMB_2">(COMB_2)</A>.  It performs
-the charge equilibration portion of the calculation using the
-so-called QEq method, whereby the charge on each atom is adjusted to
-minimize the energy of the system.
+<P>Perform charge equilibration (QeQ) in conjunction with the COMB
+(Charge-Optimized Many-Body) potential as described in
+<A HREF = "#COMB_1">(COMB_1)</A> and <A HREF = "#COMB_2">(COMB_2)</A>.  It performs the charge
+equilibration portion of the calculation using the so-called QEq
+method, whereby the charge on each atom is adjusted to minimize the
+energy of the system.  This fix can only be used with the COMB
+potential; see the <A HREF = "fix_qeq_reqx.html">fix qeq/reax</A> command for a QeQ
+calculation that can be used with any potential.
 </P>
 <P>Only charges on the atoms in the specified group are equilibrated.
 The fix relies on the pair style (COMB in this case) to calculate the

doc/fix_qeq_comb.txt

@@ -28,12 +28,14 @@ fix 1 surface qeq/comb 10 0.0001 :pre
 
 [Description:]
 
-This fix is designed for use with the pair_style comb command which
-implements the COMB COMB (Charge-Optimized Many-Body) potential as
-described in "(COMB_1)"_#COMB_1 and "(COMB_2)"_#COMB_2.  It performs
-the charge equilibration portion of the calculation using the
-so-called QEq method, whereby the charge on each atom is adjusted to
-minimize the energy of the system.
+Perform charge equilibration (QeQ) in conjunction with the COMB
+(Charge-Optimized Many-Body) potential as described in
+"(COMB_1)"_#COMB_1 and "(COMB_2)"_#COMB_2.  It performs the charge
+equilibration portion of the calculation using the so-called QEq
+method, whereby the charge on each atom is adjusted to minimize the
+energy of the system.  This fix can only be used with the COMB
+potential; see the "fix qeq/reax"_fix_qeq_reqx.html command for a QeQ
+calculation that can be used with any potential.
 
 Only charges on the atoms in the specified group are equilibrated.
 The fix relies on the pair style (COMB in this case) to calculate the