From c6aa79e008bbaec1e566653e03d83dc3b4c4b487 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 6 Feb 2008 00:03:11 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1463
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/thermo.cpp | 34 +++++++++++++++++++++++++++++++++-
 src/thermo.h   |  4 ++++
 2 files changed, 37 insertions(+), 1 deletion(-)

diff --git a/src/thermo.cpp b/src/thermo.cpp
index 155d961136..03f005b26c 100644
--- a/src/thermo.cpp
+++ b/src/thermo.cpp
@@ -42,7 +42,7 @@ using namespace LAMMPS_NS;
 
 // step, atoms, cpu, temp, press, pe, ke, etotal, enthalpy
 // evdwl, ecoul, epair, ebond, eangle, edihed, eimp, emol, elong, etail
-// vol, lx, ly, lz, xlo, xhi, ylo, yhi, zlo, zhi
+// vol, lx, ly, lz, xlo, xhi, ylo, yhi, zlo, zhi, xy, xz, yz
 // pxx, pyy, pzz, pxy, pxz, pyz
 // drot, grot (rotational KE for dipole and granular particles)
 
@@ -699,6 +699,13 @@ void Thermo::parse_fields(char *str)
     } else if (strcmp(word,"zhi") == 0) {
       addfield("Zhi",&Thermo::compute_zhi,FLOAT);
 
+    } else if (strcmp(word,"xy") == 0) {
+      addfield("Xy",&Thermo::compute_xy,FLOAT);
+    } else if (strcmp(word,"xz") == 0) {
+      addfield("Xz",&Thermo::compute_xz,FLOAT);
+    } else if (strcmp(word,"yz") == 0) {
+      addfield("Yz",&Thermo::compute_yz,FLOAT);
+
     } else if (strcmp(word,"pxx") == 0) {
       addfield("Pxx",&Thermo::compute_pxx,FLOAT);
       index_press = add_compute(id_press,1);
@@ -972,6 +979,10 @@ int Thermo::evaluate_keyword(char *word, double *answer)
   else if (strcmp(word,"zlo") == 0) compute_zlo();
   else if (strcmp(word,"zhi") == 0) compute_zhi();
 
+  else if (strcmp(word,"xy") == 0) compute_xy();
+  else if (strcmp(word,"xz") == 0) compute_xz();
+  else if (strcmp(word,"yz") == 0) compute_yz();
+
   else if (strcmp(word,"pxx") == 0) compute_pxx();
   else if (strcmp(word,"pyy") == 0) compute_pyy();
   else if (strcmp(word,"pzz") == 0) compute_pzz();
@@ -1342,6 +1353,27 @@ void Thermo::compute_zhi()
 
 /* ---------------------------------------------------------------------- */
 
+void Thermo::compute_xy()
+{
+  dvalue = domain->xy;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void Thermo::compute_xz()
+{
+  dvalue = domain->xz;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void Thermo::compute_yz()
+{
+  dvalue = domain->yz;
+}
+
+/* ---------------------------------------------------------------------- */
+
 void Thermo::compute_pxx()
 {
   if (thermoflag == 0 && !(pressure->invoked & INVOKED_VECTOR))
diff --git a/src/thermo.h b/src/thermo.h
index 3396733951..94e5d9e768 100644
--- a/src/thermo.h
+++ b/src/thermo.h
@@ -143,6 +143,10 @@ class Thermo : protected Pointers {
   void compute_zlo();
   void compute_zhi();
 
+  void compute_xy();
+  void compute_xz();
+  void compute_yz();
+
   void compute_pxx();
   void compute_pyy();
   void compute_pzz();