ASD<VecType>::ASD(const std::shared_ptr<const PTree> input, std::shared_ptr<Dimer> dimer, std::shared_ptr<DimerCISpace_base<VecType>> cispace, bool rdm)
: ASD_base(input, dimer, rdm), cispace_(cispace) {
Timer timer;
cispace_->complete();
std::cout << " o completing CI spin space: " << timer.tick() << std::endl;
// Organize subspaces
dimerstates_ = 0;
int maxspin = 0;
// Process DimerCISpace to form and organize needed Civecs and figure out maxspin
for ( auto& aiter : cispace_->template cispace<0>() ) {
SpaceKey akey = aiter.first;
// values of S_b that could give the proper spin:
// S_a-nspin_, S_a-nspin+2,...,S_a+nspin
for (int Sb = std::abs(akey.S-std::abs(nspin_)); Sb <= akey.S+std::abs(nspin_); Sb+=2) {
SpaceKey bkey( Sb, nspin_ - akey.m_s, charge_ - akey.q );
std::shared_ptr<const VecType> bspace = cispace_->template ccvec<1>(bkey);
if ( bspace ) {
subspaces_.emplace_back(dimerstates_, akey, bkey, make_pair(aiter.second, bspace));
maxspin = std::max(akey.S+Sb, maxspin);
}
}
}
max_spin_ = maxspin + 1;
// Fix monomer CI coefficients,
fix_ci_ = false;
}
/**
* @brief Update filter output with the current timestep's orthogonal
* coefficients.
*/
void FilterEnergy1D::v_Update(
const Array<OneD, const MultiRegions::ExpListSharedPtr> &pFields,
const NekDouble &time)
{
// Only output every m_outputFrequency
if ((m_index++) % m_outputFrequency)
{
return;
}
int nElmt = pFields[0]->GetExpSize();
// Loop over all elements
m_out << "##" << endl;
m_out << "## Time = " << time << endl;
m_out << "##" << endl;
for (int i = 0; i < nElmt; ++i)
{
// Figure out number of modes in this expansion.
LocalRegions::ExpansionSharedPtr exp = pFields[0]->GetExp(i);
int nModes = exp->GetBasis(0)->GetNumModes();
// Set uo basis key for orthogonal basis
LibUtilities::BasisType btype = LibUtilities::eOrtho_A;
LibUtilities::BasisKey bkeyOrth(
btype, nModes, exp->GetBasis(0)->GetPointsKey());
// Get basis key for existing expansion
LibUtilities::BasisKey bkey(
exp->GetBasis(0)->GetBasisType(),
exp->GetBasis(0)->GetNumModes(),
exp->GetBasis(0)->GetPointsKey());
// Find coeffs for this element in the list of all coefficients
Array<OneD, NekDouble> coeffs =
pFields[0]->GetCoeffs() + pFields[0]->GetCoeff_Offset(i);
// Storage for orthogonal coefficients
Array<OneD, NekDouble> coeffsOrth(nModes);
// Project from coeffs -> orthogonal coeffs
LibUtilities::InterpCoeff1D(bkey, coeffs, bkeyOrth, coeffsOrth);
// Write coeffs to file
m_out << "# Element " << i << " (ID "
<< exp->GetGeom()->GetGlobalID() << ")" << endl;
for (int j = 0; j < nModes; ++j)
{
m_out << coeffsOrth[j] << endl;
}
}
m_out << endl;
}
void testToString( void )
{
Quaternion a(1,2,3.25,4.125,Quaternion::XYZW());
std::string akey("<1,2,3.25,4.125>");
Quaternion b(-4,-.25,-.0625,1.25,Quaternion::XYZW());
std::string bkey("<-4,-0.25,-0.0625,1.25>");
TS_ASSERT_EQUALS(a.toString(),akey);
TS_ASSERT_EQUALS(b.toString(),bkey);
std::ostringstream oss;
oss<<a<<b;
TS_ASSERT_EQUALS(oss.str(),akey+bkey);
}
int main(int argc, const char **argv)
{
plain_text.Enable();
raw_tags.Enable();
Vector<const char*> unspecified;
bool parsed = Config::Parse(argc, argv, &unspecified);
if (!parsed || unspecified.Size() != 2) {
Config::PrintUsage(USAGE);
return 1;
}
// we're only doing one access, we don't need the key cache
Xdb::DisableKeyCache();
AnalysisPrepare();
const char *file = unspecified[0];
const char *key = unspecified[1];
Xdb *xdb = new Xdb(file, false, false, true);
if (!xdb->Exists()) {
delete xdb;
return 0;
}
Buffer bkey((const uint8_t*) key, strlen(key) + 1);
Buffer cdata;
Buffer bdata;
bool success = xdb->Find(&bkey, &cdata);
if (success) {
UncompressBufferInUse(&cdata, &bdata);
size_t len = bdata.pos - bdata.base;
if (plain_text.IsSpecified()) {
for (size_t n = 0; n < len; n++)
logout << (char) bdata.base[n];
logout << endl;
}
else if (raw_tags.IsSpecified()) {
size_t consumed = 0;
while (consumed != len) {
Buffer parse_data(bdata.base + consumed, len - consumed);
parse_data.pos += len - consumed;
size_t read_len = PrintPartialBuffer(&parse_data);
if (read_len == 0)
break;
consumed += read_len;
}
}
else {
Buffer read_buf(bdata.base, len);
while (read_buf.pos != read_buf.base + len) {
HashObject *value = ReadSingleValue(&read_buf);
logout << value << endl;
}
}
}
delete xdb;
ClearBlockCaches();
ClearMemoryCaches();
AnalysisFinish(0);
}
