git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@111 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/fix_nph.cpp

@@ -241,11 +241,15 @@ void FixNPH::init()
 }
 
 /* ----------------------------------------------------------------------
-   compute temp and press before integrator starts 
+   compute T,P before integrator starts 
 ------------------------------------------------------------------------- */
 
 void FixNPH::setup()
 {
+  p_target[0] = p_start[0];                 // used by thermo_compute()
+  p_target[1] = p_start[1];
+  p_target[2] = p_start[2];
+
   double t_current = temperature->compute();
   pressure->compute(temperature);
   couple();

src/fix_npt.cpp

@@ -247,6 +247,11 @@ void FixNPT::init()
 
 void FixNPT::setup()
 {
+  t_target = t_start;                      // used by thermo_compute()
+  p_target[0] = p_start[0];
+  p_target[1] = p_start[1];
+  p_target[2] = p_start[2];
+
   t_current = temperature->compute();
   pressure->compute(temperature);
   couple();

src/fix_nvt.cpp

@@ -102,6 +102,7 @@ void FixNVT::init()
 
 void FixNVT::setup()
 {
+  t_target = t_start;                      // used by thermo_compute()
   t_current = temperature->compute();
 }