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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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11
lib/atc/LinearSolver.cpp
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@ -41,7 +41,8 @@ LinearSolver::LinearSolver(
matrix_(A),
matrixDense_(),
matrixFreeFree_(), matrixFreeFixed_(),matrixInverse_(),
penalty_(0),maxIterations_(0), maxRestarts_(0), tol_(0),
penalty_(1),
maxIterations_(0), maxRestarts_(0), tol_(0),
parallel_(parallel)
{
// deep copy
@ -70,7 +71,8 @@ LinearSolver::LinearSolver(
matrix_(A),
matrixDense_(),
matrixFreeFree_(), matrixFreeFixed_(),matrixInverse_(),
penalty_(0),maxIterations_(0), maxRestarts_(0), tol_(0),
penalty_(1),
maxIterations_(0), maxRestarts_(0), tol_(0),
parallel_(parallel)
{
// shallow copy
@ -84,7 +86,6 @@ LinearSolver::LinearSolver(
// --------------------------------------------------------------------
void LinearSolver::setup(void)
{
penalty_ = kPenalty; // relative to matrix diagonal
tol_ = kTol;
nVariables_ = matrix_.nRows();
maxIterations_=2*nVariables_;
@ -106,8 +107,7 @@ void LinearSolver::setup(void)
if (solverType_ == DIRECT_SOLVE) constraintHandlerType_ = CONDENSE_CONSTRAINTS;
}
if ( solverType_ == DIRECT_SOLVE && constraintHandlerType_ == CONDENSE_CONSTRAINTS ) allowReinitialization_ = true;
if ( solverType_ == ITERATIVE_SOLVE_SYMMETRIC && constraintHandlerType_ == CONDENSE_CONSTRAINTS )
throw ATC_Error("LinearSolver::unimplemented method");
if ( solverType_ == ITERATIVE_SOLVE_SYMMETRIC && constraintHandlerType_ == CONDENSE_CONSTRAINTS ) { throw ATC_Error("LinearSolver::unimplemented method"); }
}
// --------------------------------------------------------------------
@ -217,6 +217,7 @@ void LinearSolver::initialize_rhs(void)
// --------------------------------------------------------------------
void LinearSolver::add_matrix_penalty(void)
{
penalty_ = kPenalty; // relative to matrix diagonal
SPAR_MAT & A = matrixCopy_;
penalty_ *= (A.diag()).maxabs();
BC_SET::const_iterator itr;