ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

replace tabs and remove trailing whitespace in lib folder with updated script

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-08-22 20:45:24 -04:00
parent 30821b37e5
commit 92b5b159e5
311 changed files with 9176 additions and 9176 deletions
Download Patch File Download Diff File Expand all files Collapse all files

54
lib/atc/GhostManager.cpp
View File

@ -18,7 +18,7 @@ namespace ATC {
// Class GhostManager
//--------------------------------------------------------
//--------------------------------------------------------
//--------------------------------------------------------
// Constructor
//--------------------------------------------------------
@ -30,7 +30,7 @@ namespace ATC {
{
// do nothing
}
//--------------------------------------------------------
// Destructor
//--------------------------------------------------------
@ -46,7 +46,7 @@ namespace ATC {
bool GhostManager::modify(int narg, char **arg)
{
int argIndex = 0;
/*! \page man_boundary_dynamics fix_modify AtC boundary_dynamics
\section syntax
fix_modify AtC boundary_dynamics < on | damped_harmonic | prescribed | coupled | none > [args] \n
@ -91,7 +91,7 @@ namespace ATC {
gamma_.push_back(atof(arg[argIndex++]));
mu_.push_back(atof(arg[argIndex++]));
}
boundaryDynamics_ = DAMPED_LAYERS;
needReset_ = true;
return true;
@ -123,7 +123,7 @@ namespace ATC {
ghostModifier_ = new GhostModifier(this);
return;
}
switch (boundaryDynamics_) {
case VERLET: {
ghostModifier_ = new GhostModifier(this);
@ -175,7 +175,7 @@ namespace ATC {
}
}
}
//--------------------------------------------------------
// construct_transfers
// sets/constructs all required dependency managed data
@ -184,7 +184,7 @@ namespace ATC {
{
ghostModifier_->construct_transfers();
}
//--------------------------------------------------------
// initialize
// initialize all data and variables before a run
@ -204,7 +204,7 @@ namespace ATC {
{
ghostModifier_->pre_exchange();
}
//--------------------------------------------------------
// initial_integrate_velocity
// velocity update in first part of velocity-verlet
@ -213,7 +213,7 @@ namespace ATC {
{
ghostModifier_->init_integrate_velocity(dt);
}
//--------------------------------------------------------
// initial_integrate_position
// position update in first part of velocity-verlet
@ -246,7 +246,7 @@ namespace ATC {
// Class GhostModifier
//--------------------------------------------------------
//--------------------------------------------------------
//--------------------------------------------------------
// Constructor
//--------------------------------------------------------
@ -291,7 +291,7 @@ namespace ATC {
{
atomTimeIntegrator_->init_integrate_velocity(dt);
}
//--------------------------------------------------------
// initial_integrate_position
// position update in first part of velocity-verlet
@ -315,7 +315,7 @@ namespace ATC {
// Class GhostModifierPrescribed
//--------------------------------------------------------
//--------------------------------------------------------
//--------------------------------------------------------
// Constructor
//--------------------------------------------------------
@ -353,10 +353,10 @@ namespace ATC {
atomShapeFunctions,
GHOST);
interscaleManager.add_per_atom_quantity(atomFeDisplacement_,field_to_prolongation_name(DISPLACEMENT)+"Ghost");
atomRefPositions_ = interscaleManager.per_atom_quantity("AtomicGhostCoarseGrainingPositions");
}
//--------------------------------------------------------
// post_init_integrate
// after integration, fix ghost atoms' positions
@ -373,7 +373,7 @@ namespace ATC {
// Class GhostModifierDampedHarmonic
//--------------------------------------------------------
//--------------------------------------------------------
//--------------------------------------------------------
// Constructor
//--------------------------------------------------------
@ -399,7 +399,7 @@ namespace ATC {
void GhostModifierDampedHarmonic::construct_transfers()
{
GhostModifierPrescribed::construct_transfers();
InterscaleManager & interscaleManager((ghostManager_->atc())->interscale_manager());
atomVelocities_ = interscaleManager.fundamental_atom_quantity(LammpsInterface::ATOM_VELOCITY,GHOST);
atomForces_ = interscaleManager.fundamental_atom_quantity(LammpsInterface::ATOM_FORCE,GHOST);
@ -431,7 +431,7 @@ namespace ATC {
atomTimeIntegrator_->init_integrate_velocity(dt);
#endif
}
//--------------------------------------------------------
// initial_integrate_position
// position update in first part of velocity-verlet
@ -477,7 +477,7 @@ namespace ATC {
// Class GhostModifierDampedHarmonicLayers
//--------------------------------------------------------
//--------------------------------------------------------
//--------------------------------------------------------
// Constructor
//--------------------------------------------------------
@ -489,7 +489,7 @@ namespace ATC {
ghostToBoundaryDistance_(nullptr),
layerId_(nullptr)
{
// do nothing
}
@ -500,7 +500,7 @@ namespace ATC {
void GhostModifierDampedHarmonicLayers::construct_transfers()
{
GhostModifierDampedHarmonic::construct_transfers();
InterscaleManager & interscaleManager((ghostManager_->atc())->interscale_manager());
// transfer for distance to boundary
@ -529,14 +529,14 @@ namespace ATC {
//--------------------------------------------------------
// find atomic mononlayers
//--------------------------------------------------------
bool compare( pair<int,double> a, pair<int,double> b) {
bool compare( pair<int,double> a, pair<int,double> b) {
return (a.second < b.second);
}
int GhostModifierDampedHarmonicLayers::find_layers()
{
DENS_MAT & d(ghostToBoundaryDistance_->set_quantity());
DenseMatrix<int> & ids = layerId_->set_quantity();
// get distances for every ghost atom for sorting
// size arrays of length number of processors
int commSize = LammpsInterface::instance()->comm_size();
@ -608,7 +608,7 @@ namespace ATC {
ATC::LammpsInterface::instance()->print_msg_once(msg.str());
return nlayers;
}
//--------------------------------------------------------
// compute distances to boundary faces
//--------------------------------------------------------
@ -640,7 +640,7 @@ namespace ATC {
feMesh->face_connectivity_unique(PAIR(elt,face),faceNodes);
// identify the boundary face by the face which contains only boundary nodes
isBoundaryFace = true;
isBoundaryFace = true;
for (int i = 0; i < faceNodes.size(); ++i) {
if (nodeType(faceNodes(i),0) != BOUNDARY) {
isBoundaryFace = false;
@ -665,7 +665,7 @@ namespace ATC {
}
}
centroid *= -1./double(nfe); // -1 gets outward normal from ATC region => all distances should be > 0
// for each boundary face get the normal
// ASSUMES all faces are planar
feMesh->face_normal(PAIR(elt,face),0,normal);
@ -692,7 +692,7 @@ namespace ATC {
}
}
//--------------------------------------------------------
// final_integrate
// velocity update in second part of velocity-verlet
@ -723,7 +723,7 @@ namespace ATC {
// Class GhostIntegratorVerletSwap
//--------------------------------------------------------
//--------------------------------------------------------
//--------------------------------------------------------
// Constructor
//--------------------------------------------------------