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lammps/lib/atc/TimeIntegrator.cpp
6354d994c21alammm-master-deprecated

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TimeIntegrator.cpp
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// 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
}
};
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