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ATC version 2.0, date: Aug28

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10695 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
rjones
2013-08-28 22:16:54 +00:00
parent 4df2113a80
commit 8d6d4e9289
29 changed files with 220 additions and 621 deletions
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22
lib/atc/TimeIntegrator.cpp
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@ -45,7 +45,7 @@ namespace ATC {
void AtomTimeIntegratorType::init_integrate_velocity(double dt)
{
const DENS_MAT & m(mass_->quantity());
_deltaQuantity_ = force_->quantity();
_deltaQuantity_ /= m;
_deltaQuantity_ *= 0.5*dt;
@ -148,26 +148,6 @@ namespace ATC {
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