| 138 |
|
// Build a vector of integrable objects to determine if the are |
| 139 |
|
// surface atoms |
| 140 |
|
Molecule* mol; |
| 141 |
< |
StuntDouble* integrableObject; |
| 141 |
> |
StuntDouble* sd; |
| 142 |
|
SimInfo::MoleculeIterator i; |
| 143 |
|
Molecule::IntegrableObjectIterator j; |
| 144 |
|
|
| 145 |
|
for (mol = info_->beginMolecule(i); mol != NULL; |
| 146 |
|
mol = info_->nextMolecule(i)) { |
| 147 |
< |
for (integrableObject = mol->beginIntegrableObject(j); |
| 148 |
< |
integrableObject != NULL; |
| 149 |
< |
integrableObject = mol->nextIntegrableObject(j)) { |
| 150 |
< |
localSites_.push_back(integrableObject); |
| 147 |
> |
for (sd = mol->beginIntegrableObject(j); |
| 148 |
> |
sd != NULL; |
| 149 |
> |
sd = mol->nextIntegrableObject(j)) { |
| 150 |
> |
localSites_.push_back(sd); |
| 151 |
|
} |
| 152 |
|
} |
| 153 |
|
} |
| 154 |
|
|
| 155 |
|
void LangevinHullForceManager::postCalculation(){ |
| 156 |
– |
SimInfo::MoleculeIterator i; |
| 157 |
– |
Molecule::IntegrableObjectIterator j; |
| 158 |
– |
Molecule* mol; |
| 159 |
– |
StuntDouble* integrableObject; |
| 156 |
|
|
| 157 |
|
// Compute surface Mesh |
| 158 |
|
surfaceMesh_->computeHull(localSites_); |
| 184 |
|
hydroTensor *= PhysicalConstants::viscoConvert; |
| 185 |
|
Mat3x3d S; |
| 186 |
|
CholeskyDecomposition(hydroTensor, S); |
| 187 |
< |
|
| 187 |
> |
|
| 188 |
|
Vector3d extPressure = -unitNormal * (targetPressure_ * thisArea) / |
| 189 |
|
PhysicalConstants::energyConvert; |
| 190 |
|
|
