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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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28
lib/atc/ElasticTimeIntegrator.cpp
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@ -230,10 +230,10 @@ namespace ATC {
}
//--------------------------------------------------------
// mid_initial_integrate1
// time integration at the mid-point of Verlet step 1
// pre_initial_integrate1
// time integration before Verlet step 1
//--------------------------------------------------------
void ElasticTimeIntegratorVerlet::mid_initial_integrate1(double dt)
void ElasticTimeIntegratorVerlet::pre_initial_integrate1(double dt)
{
explicit_1(velocity_.set_quantity(),acceleration_.quantity(),.5*dt);
}
@ -334,10 +334,10 @@ namespace ATC {
}
//--------------------------------------------------------
// mid_initial_integrate1
// time integration at the mid-point of Verlet step 1
// pre_initial_integrate1
// time integration before Verlet step 1
//--------------------------------------------------------
void ElasticTimeIntegratorVerletFiltered::mid_initial_integrate1(double dt)
void ElasticTimeIntegratorVerletFiltered::pre_initial_integrate1(double dt)
{
explicit_1(velocity_.set_quantity(),acceleration_.quantity(),.5*dt);
explicit_1(nodalAtomicVelocityOut_.set_quantity(),nodalAtomicAcceleration_.quantity(),.5*dt);
@ -497,11 +497,10 @@ namespace ATC {
}
//--------------------------------------------------------
// mid_initial_integrate1
// time integration between the velocity and position
// updates in Verlet step 1
// post_initial_integrate1
// time integration after Verlet step 1
//--------------------------------------------------------
void ElasticTimeIntegratorFractionalStep::mid_initial_integrate1(double dt)
void ElasticTimeIntegratorFractionalStep::post_initial_integrate1(double dt)
{
// atomic contributions to change in momentum
// compute change in restricted atomic momentum
@ -531,16 +530,9 @@ namespace ATC {
nodalAtomicVelocityOld_,
VELOCITY);
nodalAtomicMomentumOld_ = nodalAtomicMomentum;
}
//--------------------------------------------------------
// post_initial_integrate1
// time integration after Verlet step 1
//--------------------------------------------------------
void ElasticTimeIntegratorFractionalStep::post_initial_integrate1(double dt)
{
// get nodal momentum for second part of force update
nodalAtomicForce_ = nodalAtomicMomentum_->quantity();
nodalAtomicForce_ = nodalAtomicMomentum;
nodalAtomicForce_ *= -1.;
// update nodal displacements