Commit 9aa57aa8 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@111 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent c7483841

src/fix_nph.cpp

+5 −1
Original line number Diff line number Diff line
@@ -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

+5 −0
Original line number Diff line number Diff line
@@ -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

+1 −0
Original line number Diff line number Diff line
@@ -102,6 +102,7 @@ void FixNVT::init() 


void FixNVT::setup()

{

  t_target = t_start;                      // used by thermo_compute()

  t_current = temperature->compute();

}

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