Rearranged the directory tree for ELASTIC_T and BORN_MATRIX

examples/ELASTIC_T/BORN_MATRIX/Argon/README.md

@@ -3,10 +3,11 @@ scripts creating argon fcc crystal and computing the Born term using the two
 methods described in the documentation.
 
 In the __Analytical__ directory the terms are computed using the analytical
-derivation of the lj/cut pair style.
+derivation of the Born term for the lj/cut pair style.
 
-In the __Numdiff__ directory, the born term is evaluated through small
+In the __Numdiff__ directory, the Born term is evaluated through small
 numerical differences of the stress tensor. This method can be used with any
 interaction potential.
 
-Both script show examples on how to compute the full Cij tensor in LAMMPS.
+Both script show examples on how to compute the full Cij elastic stiffness
+tensor in LAMMPS.

examples/ELASTIC_T/DEFORMATION/Silicon/potential.mod

@@ -2,7 +2,7 @@
 # See in.elastic for more info.
 
 # we must undefine any fix ave/* fix before using reset_timestep
-if "$(is_defined(fix,avp)" then "unfix avp"
+if "$(is_defined(fix,avp))" then "unfix avp"
 reset_timestep 0
 
 # Choose potential

examples/README

@@ -152,12 +152,19 @@ either by itself or in tandem with another code or library.  See the
 COUPLE/README file to get started.
 
 The ELASTIC directory has an example script for computing elastic
-constants at zero temperature, using an Si example.  See the
+stiffness tensor (elastic constants)
+at zero temperature, using an Si example.  See the
 ELASTIC/in.elastic file for more info.
 
-The ELASTIC_T directory has an example script for computing elastic
+The ELASTIC_T directory has example scripts for the computing elastic
-constants at finite temperature, using an Si example.  See the
+stiffness tensor at finite temperature. Two different methods are
-ELASTIC_T/in.elastic file for more info.
+demonstrated. DEFORMATION estimates the change in the average
+stress tensor between multiple simulations
+in which small finite deformations are made to the simulation cell.
+BORN_MATRIX runs a single simulation in which the Born matrix and stress
+fluctuations are averaged. The second method
+is newer in LAMMPS and is generally more efficient and
+more reliable.
 
 The HEAT directory has example scripts for heat exchange algorithms
 (e.g. used for establishing a thermal gradient), using two different