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ATC version 2.0, date: Nov20

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12757 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
jatempl
2014-11-20 18:59:03 +00:00
parent 2fecb0f4b8
commit ac5973073f
69 changed files with 5895 additions and 2159 deletions
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35
lib/atc/ExtrinsicModelTwoTemperature.cpp
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@ -116,7 +116,7 @@ namespace ATC {
else if (strcmp(arg[argIndx],"electron_integration")==0) {
argIndx++;
nsubcycle_ = 1;
if (strcmp(arg[argIndx],"explicit")==0) {
if (strcmp(arg[argIndx],"explicit")==0) {
electronTimeIntegration_ = TimeIntegrator::EXPLICIT;
match = true;
}
@ -124,10 +124,18 @@ namespace ATC {
electronTimeIntegration_ = TimeIntegrator::IMPLICIT;
match = true;
}
else if (strcmp(arg[argIndx],"direct")==0) {
electronTimeIntegration_ = TimeIntegrator::DIRECT;
match = true;
}
else if (strcmp(arg[argIndx],"steady")==0) {
electronTimeIntegration_ = TimeIntegrator::STEADY;
match = true;
}
else if (strcmp(arg[argIndx],"off")==0) {
electronTimeIntegration_ = TimeIntegrator::NONE;
match = true;
}
if (narg > ++argIndx) nsubcycle_ = atoi(arg[argIndx]);
} // end "electron_integration"
@ -155,6 +163,10 @@ namespace ATC {
for (int i = 0; i < NUM_FLUX; i++) {
rhsMask(ELECTRON_TEMPERATURE,i) = atc_->fieldMask_(ELECTRON_TEMPERATURE,i);
}
if (electronTimeIntegration_ == TimeIntegrator::NONE) {
temperatureIntegrator_ = NULL;
return;
}
if (temperatureIntegrator_) delete temperatureIntegrator_;
if (electronTimeIntegration_ == TimeIntegrator::STEADY) {
throw ATC_Error("not implemented");
@ -165,11 +177,14 @@ namespace ATC {
ELECTRON_TEMPERATURE, physicsModel_, atc_->feEngine_, atc_,
rhsMask, alpha);
}
else {
else if (electronTimeIntegration_ == TimeIntegrator::EXPLICIT) {
temperatureIntegrator_ = new FieldExplicitEulerIntegrator(
ELECTRON_TEMPERATURE, physicsModel_, atc_->feEngine_, atc_,
rhsMask);
}
double dt = atc_->lammpsInterface_->dt();
double time = atc_->time();
temperatureIntegrator_->initialize(dt,time,atc_->fields_);
// set up mass matrix
@ -184,17 +199,27 @@ namespace ATC {
//--------------------------------------------------------
void ExtrinsicModelTwoTemperature::pre_init_integrate()
{
#ifdef ATC_VERBOSE
ATC::LammpsInterface::instance()->print_msg_once("start ttm evolution",true,false);
#endif
double dt = atc_->lammpsInterface_->dt();
double time = atc_->time();
// integrate fast electron variable/s
// note: atc calls set_sources in pre_final_integrate
atc_->set_fixed_nodes();
double idt = dt/nsubcycle_;
for (int i = 0; i < nsubcycle_ ; ++i) {
temperatureIntegrator_->update(idt,time,atc_->fields_,rhs_);
if (! atc_->prescribedDataMgr_->all_fixed(ELECTRON_TEMPERATURE)
&& temperatureIntegrator_ ) {
double idt = dt/nsubcycle_;
for (int i = 0; i < nsubcycle_ ; ++i) {
temperatureIntegrator_->update(idt,time,atc_->fields_,rhs_);
}
}
#ifdef ATC_VERBOSE
ATC::LammpsInterface::instance()->print_msg_once("...done",false,true);
#endif
}
//--------------------------------------------------------