git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3170 f3b2605a-c512-4ea7-a41b-209d697bcdaa

lib/atc/TimeIntegrator.cpp

@@ -0,0 +1,176 @@
+// ATC transfer headers
+#include "TimeIntegrator.h"
+#include "ATC_Transfer.h"
+#include "ATC_Error.h"
+
+namespace ATC {
+
+  //--------------------------------------------------------
+  //--------------------------------------------------------
+  //  Class TimeIntegrator
+  //--------------------------------------------------------
+  //--------------------------------------------------------
+  
+  //--------------------------------------------------------
+  //  Constructor
+  //--------------------------------------------------------
+  TimeIntegrator::TimeIntegrator(ATC_Transfer * atcTransfer,
+				 TimeIntegrationType timeIntegrationType) :
+    atcTransfer_(atcTransfer),
+    timeIntegrationMethod_(NULL),
+    timeFilter_(NULL),
+    timeFilterManager_(atcTransfer_->get_time_filter_manager()),
+    timeIntegrationType_(timeIntegrationType),
+    needReset_(true)
+  {
+    // do nothing
+  }
+
+  //--------------------------------------------------------
+  //  Destructor
+  //--------------------------------------------------------
+  TimeIntegrator::~TimeIntegrator()
+  {
+    if (timeFilter_)
+      delete timeFilter_;
+    
+    if (timeIntegrationMethod_)
+      delete timeIntegrationMethod_;
+  }
+
+    //--------------------------------------------------------
+  //  pre_initial_integrate1
+  //    first time integration computations
+  //    before Verlet step 1
+  //--------------------------------------------------------
+  void TimeIntegrator::pre_initial_integrate1(double dt)
+  {
+    timeIntegrationMethod_->pre_initial_integrate1(dt);
+  }
+
+  //--------------------------------------------------------
+  //  pre_initial_integrate2
+  //    second time integration computations
+  //    before Verlet step 1
+  //--------------------------------------------------------
+  void TimeIntegrator::pre_initial_integrate2(double dt)
+  {
+    timeIntegrationMethod_->pre_initial_integrate2(dt);
+  }
+
+  //--------------------------------------------------------
+  //  mid_initial_integrate1
+  //    first time integration computations
+  //    at the mid-point of Verlet step 1
+  //--------------------------------------------------------
+  void TimeIntegrator::mid_initial_integrate1(double dt)
+  {
+    timeIntegrationMethod_->mid_initial_integrate1(dt);
+  }
+
+  //--------------------------------------------------------
+  //  mid_initial_integrate2
+  //    second time integration computations
+  //    at the mid-point of Verlet step 1
+  //--------------------------------------------------------
+  void TimeIntegrator::mid_initial_integrate2(double dt)
+  {
+    timeIntegrationMethod_->mid_initial_integrate2(dt);
+  }
+
+  //--------------------------------------------------------
+  //  post_initial_integrate1
+  //    first time integration computations
+  //    after Verlet step 1
+  //--------------------------------------------------------
+  void TimeIntegrator::post_initial_integrate1(double dt)
+  {
+    timeIntegrationMethod_->post_initial_integrate1(dt);
+  }
+
+  //--------------------------------------------------------
+  //  post_initial_integrate2
+  //    second time integration computations
+  //    after Verlet step 1
+  //--------------------------------------------------------
+  void TimeIntegrator::post_initial_integrate2(double dt)
+  {
+    timeIntegrationMethod_->post_initial_integrate2(dt);
+  }
+
+  //--------------------------------------------------------
+  //  pre_final_integrate1
+  //    first time integration computations 
+  //    before Verlet step 2
+  //--------------------------------------------------------
+  void TimeIntegrator::pre_final_integrate1(double dt)
+  {
+    timeIntegrationMethod_->pre_final_integrate1(dt);
+  }
+
+  //--------------------------------------------------------
+  //  pre_final_integrate2
+  //    second time integration computations
+  //    before Verlet step 2
+  //--------------------------------------------------------
+  void TimeIntegrator::pre_final_integrate2(double dt)
+  {
+    timeIntegrationMethod_->pre_final_integrate2(dt);
+  }
+
+  //--------------------------------------------------------
+  //  post_final_integrate1
+  //    first time integration computations 
+  //    after Verlet step 2
+  //--------------------------------------------------------
+  void TimeIntegrator::post_final_integrate1(double dt)
+  {
+    timeIntegrationMethod_->post_final_integrate1(dt);
+  }
+
+  //--------------------------------------------------------
+  //  post_final_integrate2
+  //    second time integration computations
+  //    after Verlet step 2
+  //--------------------------------------------------------
+  void TimeIntegrator::post_final_integrate2(double dt)
+  {
+    timeIntegrationMethod_->post_final_integrate2(dt);
+  }
+
+  //--------------------------------------------------------
+  //  post_process
+  //    perform any post processing calculations
+  //--------------------------------------------------------
+  void TimeIntegrator::post_process(double dt)
+  {
+    timeIntegrationMethod_->post_process(dt);
+  }
+
+  //--------------------------------------------------------
+  //  output
+  //    add variables to output list
+  //--------------------------------------------------------
+  void TimeIntegrator::output(OUTPUT_LIST & outputData)
+  {
+    timeIntegrationMethod_->output(outputData);
+  }
+
+  //--------------------------------------------------------
+  //--------------------------------------------------------
+  //  Class TimeIntegrationMethod
+  //--------------------------------------------------------
+  //--------------------------------------------------------
+
+  //--------------------------------------------------------
+  //  Constructor
+  //        Grab data from ATC
+  //-------------------------------------------------------- 
+  TimeIntegrationMethod::TimeIntegrationMethod(TimeIntegrator * timeIntegrator) :
+    timeIntegrator_(timeIntegrator),
+    atcTransfer_(timeIntegrator_->get_atc_transfer())
+  {
+    // do nothing
+  }
+
+};