void
BlockFileReader::loadDict()
{
QString dictFile = m_baseFilename + ".dict";
QFile dfile(dictFile);
dfile.open(QIODevice::ReadOnly);
QDataStream in(&dfile);
in >> m_minLevel;
for(int ib=0; ib<m_minLevel; ib++)
{
in >> m_uniform[ib];
in >> m_fileBlocks[ib];
in >> m_blockOffset[ib];
}
dfile.close();
QString lowresFile = m_baseFilename + ".lowres";
QFile lfile(lowresFile);
lfile.open(QIODevice::ReadOnly);
lfile.read((char*)&m_sslevel, 1);
lfile.read((char*)&m_ssd, 4);
lfile.read((char*)&m_ssw, 4);
lfile.read((char*)&m_ssh, 4);
m_ssvol = new uchar[m_ssd*m_ssw*m_ssh*m_bytesPerVoxel];
lfile.read((char*)m_ssvol, m_ssd*m_ssw*m_ssh*m_bytesPerVoxel);
lfile.close();
// QMessageBox::information(0, "", QString("%1 : %2 %3 %4").\
// arg(m_sslevel).arg(m_ssd).arg(m_ssw).arg(m_ssh));
initializeBlockReader();
}
void ViewerWindow::openAnimations()
{
#if 0
QFileDialog dialog(this, "Open Animations", QDir::homePath(), "IFP Animations (*.ifp)");
if(dialog.exec()) {
std::ifstream dfile(dialog.selectedFiles().at(0).toStdString().c_str());
AnimationList anims;
if(dfile.is_open())
{
dfile.seekg(0, std::ios_base::end);
size_t length = dfile.tellg();
dfile.seekg(0);
char *file = new char[length];
dfile.read(file, length);
LoaderIFP loader;
if( loader.loadFromMemory(file) ) {
for(auto& f : loader.animations) {
anims.push_back(f);
}
}
delete[] file;
}
animationswidget->setAnimations(anims);
}
#endif
}
FileHandle FileIndex::openFile(const std::string& filename)
{
auto iterator = files.find( filename );
if( iterator == files.end() )
{
return nullptr;
}
IndexData& f = iterator->second;
bool isArchive = !f.archive.empty();
auto fsName = f.directory + "/" + f.originalName;
char* data = nullptr;
size_t length = 0;
if( isArchive )
{
fsName = f.directory + "/" + f.archive;
LoaderIMG img;
if( ! img.load(fsName) )
{
throw std::runtime_error("Failed to load IMG archive: " + fsName);
}
LoaderIMGFile file;
if( img.findAssetInfo(f.originalName, file) )
{
length = file.size * 2048;
data = img.loadToMemory(f.originalName);
}
}
else
{
std::ifstream dfile(fsName.c_str(), std::ios_base::binary);
if ( ! dfile.is_open()) {
throw std::runtime_error("Unable to open file: " + fsName);
}
dfile.seekg(0, std::ios_base::end);
length = dfile.tellg();
dfile.seekg(0);
data = new char[length];
dfile.read(data, length);
}
if( data == nullptr )
{
return nullptr;
}
return FileHandle( new FileContentsInfo{ data, length } );
}
int DBInit::copyDB(){
QFile dfile("assets:/sights.sqlite");
QFile existFile("./sights.sqlite");
//Если файл с БД скопирован, то пропускаем следующие шаги
if (existFile.exists())
existFile.remove();
// return 0;
if (dfile.exists())
{
dfile.copy("./sights.sqlite");
QFile::setPermissions("./sights.sqlite",QFile::WriteOwner | QFile::ReadOwner);
}
return 1;
}
int main(int argc, char *argv[])
{
signal(SIGALRM, sig_alarm);
if ((argc < 2) || (argc > 2 && argc < 5) || (argc > 5)) {
fprintf(stderr, "Error args!\n");
print_usage();
return -1;
}
strcpy(root_dir, argv[1]);
if (root_dir[strlen(root_dir)-1] == '/') {
root_dir[strlen(root_dir)-1] = '\0';
}
if (argc == 5) {
file_size = atol(argv[2])*1024*1024;
thread_n = atoi(argv[3]);
time_s = atoi(argv[4]);
}
if ((n = parse_args()) <= 0) {
openlog("fs_write", LOG_CONS|LOG_PID, 0);
syslog(LOG_USER|LOG_ERR, "parse_args error!\n");
print_usage();
return -1;
}
strcpy(_dirname, root_dir);
strcat(_dirname, "/");
strcat(_dirname, dirs_name[now]);
if (init_time(time_s) < 0) {
openlog("fs_write", LOG_CONS|LOG_PID, 0);
syslog(LOG_USER|LOG_ERR, "init_time error!\n");
return -1;
}
if (w_thread() < 0) {
return -1;
}
if (dfile() < 0) {
return -1;
}
}
void SimpleTaskManager::loadInitData(QString dir)
{
QDirIterator *dirIt;
dirIt = new QDirIterator(dir, QDirIterator::NoIteratorFlags);
while (dirIt->hasNext())
{
dirIt->next();
QString _f = dirIt->filePath();
QFileInfo f(_f);
if(f.suffix() == "stb")
{
QFile dfile(dirIt->filePath());
dfile.open(QIODevice::ReadOnly);
SimpleTask *st = STFromBinary(dfile.readAll());
this->addTask(st);
}
}
}
void
CameraCalib::read3dPoints(std::string filename, std::vector<cv::Point3f> *list) {
std::ifstream dfile(filename);
std::string line;
int n;
std::stringstream stream;
if (dfile.is_open()) {
while (getline(dfile, line)) {
cv::Point3f point;
stream = std::stringstream(line);
stream >> n;
point.x = n;
stream >> n;
point.y = n;
stream >> n;
point.z = n;
list->push_back(point);
}
dfile.close();
}
}
void ModelViewer::loadAnimations(const QString& file) {
std::ifstream dfile(file.toStdString().c_str(), std::ios_base::binary);
AnimationList anims;
if (dfile.is_open()) {
dfile.seekg(0, std::ios_base::end);
size_t length = dfile.tellg();
dfile.seekg(0);
char* file = new char[length];
dfile.read(file, length);
LoaderIFP loader;
if (loader.loadFromMemory(file)) {
for (auto& f : loader.animations) {
anims.push_back(f);
}
}
delete[] file;
}
animationWidget->setAnimations(anims);
}
// Function to load the runInfo structure with all runID's on local disk
void US_XpnRunAuc::load_runs( void )
{
impdir = US_Settings::importDir(); // Imports directory
impdir.replace( "\\", "/" ); // Possible Windows issue
if ( impdir.right( 1 ) != "/" )
impdir = impdir + "/"; // Insure trailing slash
// Set up to load either from a raw DB file or from openAUC files
QStringList efilt( "*.auc" );
QStringList runids;
QStringList rdirs = QDir( impdir ).entryList(
QDir::AllDirs | QDir::NoDotAndDotDot, QDir::Name );
qDebug() << "LdDk: rdirs count" << rdirs.count() << "impdir" << impdir
<< "efilt" << efilt;
// Get the list of all Run IDs with data in their work directories
for ( int ii = 0; ii < rdirs.count(); ii++ )
{
QString runID = rdirs[ ii ];
QString wdir = impdir + runID + "/";
QStringList efiles = QDir( wdir ).entryList( efilt, QDir::Files,
QDir::Name );
int nfiles = efiles.count();
qDebug() << "LdDk: ii" << ii << "run" << rdirs[ii]
<< "count" << nfiles;
if ( nfiles < 1 ) // Definitely not Optima
continue;
QString rfn = wdir + efiles[ 0 ];
QString date = US_Util::toUTCDatetimeText(
QFileInfo( rfn ).lastModified().toUTC()
.toString( Qt::ISODate ), true )
.section( " ", 0, 0 ).simplified();
// Look for TMST definition file and test import origin
QString dfname = runID + ".time_state.xml";
QString dpath = wdir + dfname;
QFile dfile( dpath );
if ( ! dfile.exists() ||
! dfile.open( QIODevice::ReadOnly ) )
continue; // Skip if TMST def file does not exist or can't be opened
qDebug() << "LdDk: dfname -- exists/opened";
QTextStream fsi( &dfile );
QString pmatch( "import_type=\"Optima\"" );
QString pmatch2( "import_type=\"XPN\"" );
QString xmli = fsi.readAll();
dfile.close();
qDebug() << "LdDk: pmatch" << pmatch;
if ( ! xmli.contains( pmatch ) &&
! xmli.contains( pmatch2 ) )
continue; // Skip if TMST def has no import_type="Optima"
// Add an eligible run directory to the list
//qDebug() << "LdDk: ii" << ii << " rfn" << rfn;
RunInfo rr;
rr.runID = runID;
rr.date = date;
rr.ntriple = nfiles;
//qDebug() << "LdDk: ii" << ii << " runID date count"
// << rr.runID << rr.date << rr.nfiles;
runInfo << rr;
}
if ( runInfo.size() < 1 )
{
QMessageBox::information( this,
tr( "Error" ),
tr( "There are no US3 runs on the local Disk to load.\n" ) );
}
return;
}
dispnoerr(char *s)
{
dfile(s,2);
}
dispfile(char *s)
{
dfile(s,0);
}
regdispfile(char *s)
{
dfile(s,1);
}
/** create a SlaterDeterminant
* @param cur xmlnode containing \<slaterdeterminant\>
* @return a SlaterDeterminant
*
* @warning MultiSlaterDeterminant is not working yet.
*/
SPOSetBase*
SplineSetBuilder::createSPOSet(xmlNodePtr cur)
{
string hrefname("NONE");
int norb(0);
int degeneracy(1);
OhmmsAttributeSet aAttrib;
aAttrib.add(norb,"orbitals");
aAttrib.add(degeneracy,"degeneracy");
aAttrib.add(hrefname,"href");
aAttrib.put(cur);
if(norb ==0)
{
app_error() << "SplineSetBuilder::createSPOSet failed. Check the attribte orbitals." << endl;
return 0;
}
app_log() << " Degeneracy = " << degeneracy << endl;
std::vector<int> npts(3);
npts[0]=GridXYZ->nX;
npts[1]=GridXYZ->nY;
npts[2]=GridXYZ->nZ;
std::vector<RealType> inData(npts[0]*npts[1]*npts[2]);
SPOSetType* psi= new SPOSetType(norb);
vector<int> occSet(norb);
for(int i=0; i<norb; i++)
occSet[i]=i;
cur=cur->children;
while(cur != NULL)
{
string cname((const char*)(cur->name));
if(cname == "occupation")
{
string occ_mode("ground");
const xmlChar* o=xmlGetProp(cur,(const xmlChar*)"mode");
if(o!= NULL)
occ_mode = (const char*)o;
//Do nothing if mode == ground
if(occ_mode == "excited")
{
vector<int> occ_in, occRemoved;
putContent(occ_in,cur);
for(int k=0; k<occ_in.size(); k++)
{
if(occ_in[k]<0)
occRemoved.push_back(-occ_in[k]-1);
}
int kpopd=0;
for(int k=0; k<occ_in.size(); k++)
{
if(occ_in[k]>0)
occSet[occRemoved[kpopd++]]=occ_in[k]-1;
}
}
hid_t h_file = H5Fopen(hrefname.c_str(),H5F_ACC_RDWR,H5P_DEFAULT);
const xmlChar* h5path = xmlGetProp(cur,(const xmlChar*)"h5path");
string hroot("/eigenstates_3/twist_0");
if(h5path != NULL)
hroot=(const char*)h5path;
char wfname[128],wfshortname[16];
for(int iorb=0; iorb<norb; iorb++)
{
sprintf(wfname,"%s/band_%d/eigenvector",hroot.c_str(),occSet[iorb]/degeneracy);
sprintf(wfshortname,"b%d",occSet[iorb]/degeneracy);
SPOType* neworb=0;
map<string,SPOType*>::iterator it(NumericalOrbitals.find(wfshortname));
if(it == NumericalOrbitals.end())
{
neworb=new SPOType(GridXYZ);
HDFAttribIO<std::vector<RealType> > dummy(inData,npts);
dummy.read(h_file,wfname);
//neworb->reset(inData.begin(), inData.end(), targetPtcl.Lattice.BoxBConds[0]);
neworb->reset(inData.begin(), inData.end(), targetPtcl.Lattice.SuperCellEnum);
NumericalOrbitals[wfshortname]=neworb;
app_log() << " Reading spline function " << wfname << endl;
}
else
{
neworb = (*it).second;
app_log() << " Reusing spline function " << wfname << endl;
}
psi->add(neworb);
}
H5Fclose(h_file);
}
cur=cur->next;
}
SPOType* aorb=(*NumericalOrbitals.begin()).second;
string fname("spline3d.vti");
std::ofstream dfile(fname.c_str());
dfile.setf(ios::scientific, ios::floatfield);
dfile.setf(ios::left,ios::adjustfield);
dfile.precision(10);
dfile << "<?xml version=\"1.0\"?>" << endl;
dfile << "<VTKFile type=\"ImageData\" version=\"0.1\">" << endl;
dfile << " <ImageData WholeExtent=\"0 " << npts[0]-2 << " 0 " << npts[1]-2 << " 0 " << npts[2]-2
<< "\" Origin=\"0 0 0\" Spacing=\"1 1 1\">"<< endl;
dfile << " <Piece Extent=\"0 " << npts[0]-2 << " 0 " << npts[1]-2 << " 0 " << npts[2]-2 << "\">" << endl;
dfile << " <PointData Scalars=\"wfs\">" << endl;
dfile << " <DataArray type=\"Float32\" Name=\"wfs\">" << endl;
int ng=0;
GradType grad;
ValueType lap;
for(int ix=0; ix<npts[0]-1; ix++)
{
double x(GridXYZ->gridX->operator()(ix));
for(int iy=0; iy<npts[1]-1; iy++)
{
double y(GridXYZ->gridY->operator()(iy));
for(int iz=0; iz<npts[2]-1; iz++, ng++)
{
PosType p(x,y,GridXYZ->gridZ->operator()(iz));
//aorb.setgrid(p);
//Timing with the ofstream is not correct.
//Uncomment the line below and comment out the next two line.
//double t=aorb.evaluate(p,grad,lap);
dfile << setw(20) << aorb->evaluate(p,grad,lap);
if(ng%5 == 4)
dfile << endl;
}
}
}
dfile << " </DataArray>" << endl;
dfile << " </PointData>" << endl;
dfile << " </Piece>" << endl;
dfile << " </ImageData>" << endl;
dfile << "</VTKFile>" << endl;
abort();
return psi;
}
// Scan database for reports
void US_SyncWithDB::scan_db_reports()
{
//qDebug() << "ScDB:TM:00: " << QTime::currentTime().toString("hh:mm:ss:zzzz");
US_Passwd pw;
US_DB2 db( pw.getPasswd() );
if ( db.lastErrno() != US_DB2::OK )
{
QMessageBox::information( this,
tr( "DB Connection Problem" ),
tr( "There was an error connecting to the database:\n" )
+ db.lastError() );
return;
}
QString desc = tr(
"<b>Note:</b> Proceeding may result in local reports<br/>"
"being replaced from the database.<ul>"
"<li><b>Cancel</b> to abort synchronizing from the DB.</li>"
"<li><b>Download</b> to proceed with DB synchronization.</li>"
"<li><b>New Only</b> to only download new DB records.</li></ul>"
"<b>Downloading report records from the database...</b>" );
te_desc->setHtml( desc );
qApp->processEvents();
QApplication::setOverrideCursor( QCursor( Qt::WaitCursor ) );
QStringList query;
QString invID = QString::number( US_Settings::us_inv_ID() );
setWindowTitle( tr( "Download Report Data from the Database" ) );
query.clear();
query << "count_reports" << invID;
int nreports = db.functionQuery( query );
qDebug() << "Reports count" << nreports;
desc = desc + "<br/> ";
int nbdchr = desc.length();
desc = desc.left( nbdchr )
+ tr( "Total DB run reports is %1" ).arg( nreports );
te_desc->setHtml( desc );
qApp->processEvents();
// Determine runIDs of existing local results
QString resdir = US_Settings::resultDir() + "/";
QDir dirres( resdir );
QStringList resruns = dirres.entryList(
QDir::AllDirs | QDir::NoDotAndDotDot, QDir::Name );
query.clear();
query << "get_report_desc" << invID;
db.query( query );
QStringList runids;
int kreports = 0;
int jreports = 0;
nrunrpl = nrunadd = ndocrpl = ndocadd = 0;
QString rptdir = US_Settings::reportDir() + "/";
QDir dirrpt( rptdir );
while ( db.next() )
{
QString runid = db.value( 4 ).toString();
jreports++;
if ( resruns.contains( runid ) )
{
runids << runid;
qDebug() << " report id" << db.value(0).toString() << "runID" << runid;
kreports++;
}
}
qDebug() << "Report descs count" << kreports;
desc = desc.left( nbdchr )
+ tr( "DB reports for local runIDs is %1" ).arg( kreports );
te_desc->setHtml( desc );
qApp->processEvents();
for ( int ii = 0; ii < kreports; ii++ )
{
QString runid = runids[ ii ];
QString rundir = rptdir + runid;
QString runresd = resdir + runid;
US_Report freport;
freport.readDB( runid, &db );
int ntriples = freport.triples.count();
qDebug() << " Report" << ii << "triples count" << ntriples << "runID" << runid;
if ( ntriples > 0 )
{
if ( QDir( rundir ).exists() )
{
if ( newonly ) continue;
nrunrpl++;
}
else
{
nrunadd++;
dirrpt.mkdir( runid );
}
}
int kdocadd = 0;
for ( int jj = 0; jj < ntriples; jj++ )
{
US_Report::ReportTriple* tripl = &freport.triples[ jj ];
int ndocs = tripl->docs.count();
qDebug() << " Triple" << jj << "docs count" << ndocs;
desc = desc.left( nbdchr )
+ tr( "Run %1, Triple %2: comparing %3 documents...")
.arg( ii + 1 ).arg( jj + 1 ).arg( ndocs );
te_desc->setHtml( desc );
qApp->processEvents();
for ( int kk = 0; kk < ndocs; kk++ )
{
US_Report::ReportDocument* doc = &tripl->docs[ kk ];
QString fname = doc->filename;
qDebug() << " Doc" << kk << "filename" << fname << "ID" << doc->documentID;
QString fpath = rundir + "/" + fname;
if ( fname.endsWith( ".csv" ) )
fpath = runresd + "/" + fname;
QFile dfile( fpath );
if ( dfile.exists() )
{
if ( newonly ) continue;
ndocrpl++;
}
else
{
ndocadd++;
}
int st = doc->readDB( rundir, &db );
if ( st != US_DB2::OK )
{
qDebug() << "ReportDoc read ERROR: status" << st << fpath;
}
}
}
if ( newonly && kdocadd != ndocadd )
nrunrpl++;
}
QApplication::restoreOverrideCursor();
QMessageBox::information( this,
tr( "DB Reports Downloaded" ),
tr( "Run IDs: %1 updated, %2 added.\n"
"Documents: %3 replaced, %4 added." )
.arg( nrunrpl ).arg( nrunadd ).arg( ndocrpl ).arg( ndocadd ) );
qDebug() << "nrunrpl nrunadd ndocrpl ndocadd" << nrunrpl << nrunadd
<< ndocrpl << ndocadd;
}
void ExportEPUB::SaveFolderAsEpubToLocation(const QString &fullfolderpath, const QString &fullfilepath)
{
QString tempFile = fullfolderpath + "-tmp.epub";
QDateTime timeNow = QDateTime::currentDateTime();
zip_fileinfo fileInfo;
#ifdef Q_OS_WIN32
zlib_filefunc64_def ffunc;
fill_win32_filefunc64W(&ffunc);
zipFile zfile = zipOpen2_64(Utility::QStringToStdWString(QDir::toNativeSeparators(tempFile)).c_str(), APPEND_STATUS_CREATE, NULL, &ffunc);
#else
zipFile zfile = zipOpen64(QDir::toNativeSeparators(tempFile).toUtf8().constData(), APPEND_STATUS_CREATE);
#endif
if (zfile == NULL) {
boost_throw(CannotOpenFile() << errinfo_file_fullpath(tempFile.toStdString()));
}
memset(&fileInfo, 0, sizeof(fileInfo));
fileInfo.tmz_date.tm_sec = timeNow.time().second();
fileInfo.tmz_date.tm_min = timeNow.time().minute();
fileInfo.tmz_date.tm_hour = timeNow.time().hour();
fileInfo.tmz_date.tm_mday = timeNow.date().day();
fileInfo.tmz_date.tm_mon = timeNow.date().month() - 1;
fileInfo.tmz_date.tm_year = timeNow.date().year();
// Write the mimetype. This must be uncompressed and the first entry in the archive.
if (zipOpenNewFileInZip64(zfile, "mimetype", &fileInfo, NULL, 0, NULL, 0, NULL, Z_NO_COMPRESSION, 0, 0) != Z_OK) {
zipClose(zfile, NULL);
QFile::remove(tempFile);
boost_throw(CannotStoreFile() << errinfo_file_fullpath("mimetype"));
}
if (zipWriteInFileInZip(zfile, EPUB_MIME_DATA, (unsigned int)strlen(EPUB_MIME_DATA)) != Z_OK) {
zipCloseFileInZip(zfile);
zipClose(zfile, NULL);
QFile::remove(tempFile);
boost_throw(CannotStoreFile() << errinfo_file_fullpath("mimetype"));
}
zipCloseFileInZip(zfile);
// Write all the files in our directory path to the archive.
QDirIterator it(fullfolderpath, QDir::Files | QDir::NoDotAndDotDot | QDir::Readable | QDir::Hidden, QDirIterator::Subdirectories);
while (it.hasNext()) {
it.next();
QString relpath = it.filePath().remove(fullfolderpath);
while (relpath.startsWith("/")) {
relpath = relpath.remove(0, 1);
}
// Add the file entry to the archive.
// We should check the uncompressed file size. If it's over >= 0xffffffff the last parameter (zip64) should be 1.
if (zipOpenNewFileInZip4_64(zfile, relpath.toUtf8().constData(), &fileInfo, NULL, 0, NULL, 0, NULL, Z_DEFLATED, 8, 0, 15, 8, Z_DEFAULT_STRATEGY, NULL, 0, 0x0b00, 1<<11, 0) != Z_OK) {
zipClose(zfile, NULL);
QFile::remove(tempFile);
boost_throw(CannotStoreFile() << errinfo_file_fullpath(relpath.toStdString()));
}
// Open the file on disk. We will read this and write what we read into
// the archive.
QFile dfile(it.filePath());
if (!dfile.open(QIODevice::ReadOnly)) {
zipCloseFileInZip(zfile);
zipClose(zfile, NULL);
QFile::remove(tempFile);
boost_throw(CannotOpenFile() << errinfo_file_fullpath(it.fileName().toStdString()));
}
// Write the data from the file on disk into the archive.
char buff[BUFF_SIZE] = {0};
qint64 read = 0;
while ((read = dfile.read(buff, BUFF_SIZE)) > 0) {
if (zipWriteInFileInZip(zfile, buff, read) != Z_OK) {
dfile.close();
zipCloseFileInZip(zfile);
zipClose(zfile, NULL);
QFile::remove(tempFile);
boost_throw(CannotStoreFile() << errinfo_file_fullpath(relpath.toStdString()));
}
}
dfile.close();
// There was an error reading the file on disk.
if (read < 0) {
zipCloseFileInZip(zfile);
zipClose(zfile, NULL);
QFile::remove(tempFile);
boost_throw(CannotStoreFile() << errinfo_file_fullpath(relpath.toStdString()));
}
if (zipCloseFileInZip(zfile) != Z_OK) {
zipClose(zfile, NULL);
QFile::remove(tempFile);
boost_throw(CannotStoreFile() << errinfo_file_fullpath(relpath.toStdString()));
}
}
zipClose(zfile, NULL);
// Overwrite the contents of the real file with the contents from the temp
// file we saved the data do. We do this instead of simply copying the file
// because a file copy will lose extended attributes such as labels on OS X.
QFile temp_epub(tempFile);
if (!temp_epub.open(QFile::ReadOnly)) {
boost_throw(CannotOpenFile() << errinfo_file_fullpath(tempFile.toStdString()));
}
QFile real_epub(fullfilepath);
if (!real_epub.open(QFile::WriteOnly | QFile::Truncate)) {
temp_epub.close();
boost_throw(CannotWriteFile() << errinfo_file_fullpath(fullfilepath.toStdString()));
}
// Copy the contents from the temp file to the real file.
char buff[BUFF_SIZE] = {0};
qint64 read = 0;
qint64 written = 0;
while ((read = temp_epub.read(buff, BUFF_SIZE)) > 0) {
written = real_epub.write(buff, read);
if (written != read) {
temp_epub.close();
real_epub.close();
QFile::remove(tempFile);
boost_throw(CannotCopyFile() << errinfo_file_fullpath(fullfilepath.toStdString()));
}
}
if (read == -1) {
temp_epub.close();
real_epub.close();
QFile::remove(tempFile);
boost_throw(CannotCopyFile() << errinfo_file_fullpath(fullfilepath.toStdString()));
}
temp_epub.close();
real_epub.close();
QFile::remove(tempFile);
}
int main(int argc, char** argv) {
double ri = 0.0;
double rf = 1.0;
std::vector<int> npts(3);
npts[0]=51;npts[1]=51;npts[2]=51;
double xcut=0.23;
double ycut=0.67;
const int nk0=1;
const int nk1=1;
const int nk2=1;
//Create one-dimensional grids for three orthogonal directions
typedef LinearGrid<double> GridType;
GridType gridX, gridY, gridZ;
gridX.set(ri,rf,npts[0]);
gridY.set(ri,rf,npts[1]);
gridZ.set(ri,rf,npts[2]);
//Create an analytic function for assignment
ComboFunc infunc;
infunc.push_back(0.5,new TestFunc(1,1,1));
//infunc.push_back(0.3,new TestFunc(1,1,2));
//infunc.push_back(0.1,new TestFunc(1,2,1));
//infunc.push_back(0.01,new TestFunc(2,1,1));
//infunc.push_back(0.01,new TestFunc(2,2,1));
//infunc.push_back(0.001,new TestFunc(2,1,2));
//infunc.push_back(0.001,new TestFunc(2,2,2));
//infunc.push_back(0.001,new TestFunc(5,5,5));
//infunc.push_back(-0.3,new TestFunc(7,2,3));
//infunc.push_back(0.01,new TestFunc(7,7,7));
//infunc.push_back(0.001,new TestFunc(5,5,5));
//Write to an array
std::vector<double> inData(npts[0]*npts[1]*npts[2]);
std::vector<double>::iterator it(inData.begin());
Pooma::Clock timer;
timer.start();
//Assign the values
for(int ix=0; ix<npts[0]; ix++) {
double x(gridX(ix));
for(int iy=0; iy<npts[1]; iy++) {
double y(gridY(iy));
for(int iz=0; iz<npts[2]; iz++) {
(*it)=infunc.f(x,y,gridZ(iz));++it;
}
}
}
timer.stop();
cout << "Time to evaluate " << timer.cpu_time() << endl;
//Test TriCubicSplineT function
//Create XYZCubicGrid
XYZCubicGrid<double> grid3(&gridX,&gridY,&gridZ);
//Create a TriCubicSpline with PBC: have to think more about fixed-boundary conditions
TriCubicSplineT<double> aorb(&grid3);
//Reset the coefficients
aorb.reset(inData.begin(), inData.end());
double lap,val;
TinyVector<double,3> grad;
//aorb.reset();
//Write for vtk ImageData
string fname("spline3d.vti");
std::ofstream dfile(fname.c_str());
dfile.setf(ios::scientific, ios::floatfield);
dfile.setf(ios::left,ios::adjustfield);
dfile.precision(10);
dfile << "<?xml version=\"1.0\"?>" << endl;
dfile << "<VTKFile type=\"ImageData\" version=\"0.1\">" << endl;
dfile << " <ImageData WholeExtent=\"0 " << npts[0]-2 << " 0 " << npts[1]-2 << " 0 " << npts[2]-2
<< "\" Origin=\"0 0 0\" Spacing=\"1 1 1\">"<< endl;
dfile << " <Piece Extent=\"0 " << npts[0]-2 << " 0 " << npts[1]-2 << " 0 " << npts[2]-2 << "\">" << endl;
dfile << " <PointData Scalars=\"wfs\">" << endl;
dfile << " <DataArray type=\"Float32\" Name=\"wfs\">" << endl;
timer.start();
int ng=0;
for(int ix=0; ix<npts[0]-1; ix++) {
double x(gridX(ix));
for(int iy=0; iy<npts[1]-1; iy++) {
double y(gridY(iy));
for(int iz=0; iz<npts[2]-1; iz++, ng++) {
TinyVector<double,3> p(x,y,gridZ(iz));
//aorb.setgrid(p);
//Timing with the ofstream is not correct.
//Uncomment the line below and comment out the next two line.
//double t=aorb.evaluate(p,grad,lap);
dfile << setw(20) << aorb.evaluate(p,grad,lap);
if(ng%5 == 4) dfile << endl;
}
}
}
timer.stop();
cout << "Time to evaluate with spline " << timer.cpu_time() << endl;
dfile << " </DataArray>" << endl;
dfile << " </PointData>" << endl;
dfile << " </Piece>" << endl;
dfile << " </ImageData>" << endl;
dfile << "</VTKFile>" << endl;
hid_t h_file = H5Fcreate("spline3d.h5",H5F_ACC_TRUNC,H5P_DEFAULT,H5P_DEFAULT);
HDFAttribIO<std::vector<double> > dump(inData,npts);
dump.write(h_file,"orb0000");
HDFAttribIO<TriCubicSplineT<double> > dump1(aorb);
dump1.write(h_file,"spline0000");
H5Fclose(h_file);
//double lap;
//TinyVector<double,3> grad;
//for(int k=0; k<nptY-1; k++) {
// //TinyVector<double,3> p(xcut,ycut,gridZ(k)+0.11*gridZ.dr(k));
// TinyVector<double,3> p(xcut,gridY(k)+0.11*gridY.dr(k),ycut);
// aorb.setgrid(p);
// double y=aorb.evaluate(p,grad,lap);
// dfile << setw(30) << p[1] << setw(30) << infunc.f(p) << setw(30) << y << setw(30) << infunc.d2f(p) << setw(30) << lap << endl;
//}
return 0;
}
int main(){
sky sky;
double hbarc = 197.327;
double Mu = M; //Mass in MeV
cout<<Mu<<endl;
complex <double> M_I(0,1);
// Create momentum space grid
std::vector<double> kmesh;
std::vector<double> kweights;
double const kmax = 5.0;
int const kpts = 170;
kmesh.resize( kpts );
kweights.resize( kpts );
GausLeg( 0., kmax, kmesh, kweights );
////////Input Parameters of the potential (fit parameters) /////
std::string parameters_filename="Input.inp";
NuclearParameters Nu = read_nucleus_parameters( "Input/pca40.inp" );
//I'm altering the potential to represent ca40 after a proton is removed (i.e. the potential for K39)
/*Nu.A = 39.0;
Nu.Z = 19.0;
cout<<Nu.Z<<" "<<Nu.A<<endl;
*/
double Ef=Nu.Ef;
int lmax=20;
double zp0;
double tz=0.5;
int type=1;
int mvolume = 4;
int AsyVolume = 1;
double A = Nu.A;
double mu = (A)/((A-1.));
if (tz>0) { zp0=1;}
else {zp0=0;}
double ph_gap = Nu.ph_gap;
cout<<"ph_gap = "<<Nu.ph_gap<<endl;
double rStart = .05;
double rmax = 13.51999;
int ham_pts = 340; //300 for highR
double rdelt = rmax / (ham_pts-2);
cout<<"rdelt = "<<rdelt<<endl;
vector<double> dr;
dr.assign(ham_pts,rdelt);
// Construct Parameters Object
Parameters p = get_parameters( parameters_filename, Nu.A, Nu.Z, zp0 );
// Construct Potential Object
pot pottt = get_bobs_pot2( type, mvolume, AsyVolume, tz, Nu, p );
pot * pott = &pottt;
cout<<"kconstant = "<<pott->kconstant<<endl;
boundRspace initiate(rmax , ham_pts , Ef, ph_gap , lmax , Nu.Z , zp0 , Nu.A, pott);
double Elower = -11.61818;
double Eupper = -9.4;
double jj = .5;
int ll = 0;
int Ifine = 1;
initiate.searchNonLoc( Elower, Eupper, jj, ll, Ifine);
initiate.exteriorWaveFunct(ll);
initiate.normalizeWF();
double tol=.01;
double estart=Ef;
///// Making rmesh///
std::vector<double> rmesh_p= initiate.make_rmesh_point();
std::vector<double> rmesh= initiate.make_rmesh();
//int J=0.5;
//lmax=6;
//for(int L=0;L<lmax+1;L++){
// for(int s=0;s<2;s++){
// J=L-0.5+s;
// if(J<0){
// J=0.5;
// s=1;
// }
//
// string slab;
// ostringstream convert;
// convert << s;
// slab = convert.str();
//
// string jlab = sky.jlab(J);
// string llab = sky.llab(L);
//
// cout<<endl;
// cout<<"L = "<<L<<" J = "<<J<<endl;
// cout<<endl;
//
// int N = 0;
//
// string preq = "waves/partials/dom/eep100";
// string instring = preq + sky.Nlab(L) + sky.Nlab(s+1) + ".txt";
// cout<<instring<<endl;
// ifstream filein(instring.c_str());
// cout<<filein<<endl;
// vector <double> par;
// par.assign(rmesh.size(),0);
// std::string line;
// int i;
// i=0;
// while(getline(filein,line)){
// par[i] = atof(line.c_str());
// cout<<par[i]<<endl;
// i++;
// }
// cout<<"i = "<<i<<endl;
// filein.close();
// vector<double> park = sky.four(L,par,rmesh,kmesh);
//
//
// string fname = "waves/kwave/dom/" + llab + slab + ".txt";
// ofstream ffile(fname.c_str());
//
// for(int i=0;i<kmesh.size();i++){
// ffile<<kmesh[i]<<" "<<park[i]<<endl;
// }
//
// }
//}
//
//cout<<"done fourier transforming"<<endl;
matrix_t test(rmesh.size(),rmesh.size());
test = initiate.re_hamiltonian(rmesh,Ef,ll,jj);
eigen_t dom_wf_s = initiate.find_boundstate(rmesh, Ef, 1, 0, 0.5, tol);
eigen_t dom_wf_d = initiate.find_boundstate(rmesh, Ef, 0, 2, 1.5, tol);
ofstream dfile("wfdomd32.txt");
ofstream sfile("wfdoms12.txt");
double sf = initiate.sfactor(rmesh,dom_wf_d.first,2,1.5,dom_wf_d.second);
sfile<<rmesh[0]<<" "<<dom_wf_s.second[0]<<endl;
dfile<<"0.0 0.0"<<endl;
for(int i=0;i<rmesh.size()-1;i++){
if(i%2==1){
dfile<<rmesh[i]<<" "<<dom_wf_d.second[i]<<endl;
sfile<<rmesh[i]<<" "<<dom_wf_s.second[i]<<endl;
}
}
double rms = 0.0;
for(int i=0;i<rmesh.size();i++){
rms += pow(dom_wf_d.second[i]*rmesh[i]*rmesh[i],2) * rdelt;
}
rms = sqrt(rms);
cout<<"rms = "<<rms<<endl;
cout<<"d3/2 spectroscopic factor = "<<sf<<endl;
cout<<"d3/2 bound energy = "<<dom_wf_d.first<<endl;
double rdelt_p = rdelt / 1.025641026;
double Emax = 2*Ef;
double Emin=-200.0 + Emax;
string title = "pca40";
string* title0 = &title;
double E0 = 0.52;
ofstream rfile("react2.txt");
//for(int j=1;j<201;j++){
// double Elab = E0 + j;
double Elab = 100.0;
/*
if (Ecm < 0.) return Ecm/A*(1.+A);
//find momentum of projecile, also momentum of target
double pc = sqrt(Ecm)*sqrt((Ecm+2.*Mu)*(Ecm+2.*A*
Mu)*
(Ecm+2.*(A+1.)*scatterRspace::m0))/2./(Ecm+(A+1)
*Mu);
//velocity of target in units of c
double vtarget = pc/sqrt(pow(pc,2)+pow(A*Mu,2));
//gamma factor for this velocity
double gam = 1./sqrt(1.-pow(vtarget,2));
// tot energy of projectile (neutron or proton in com frame)
double Eproj = sqrt(pow(Mu,2)+pow(pc,2));
double Elab = (Eproj + vtarget*pc)*gam;
//this energy contains rest mass , so remove it
Elab -= Mu;
*/
// A = Nu.A-1;
if (Elab < 0.) return Elab*A/(1.+A);
// center of mass velocity in units of c
double vcm = sqrt(Elab*(Elab+2.*scatterRspace::m0))/(Elab+(1.+A)*
scatterRspace::m0);
//gamma factor for this velocity
double gam = 1./sqrt(1.-std::pow(vcm,2));
double Ecm = (gam-1.)*(1.+A)*scatterRspace::m0 +
gam*Elab*(A-1.)*scatterRspace::m0/((A+1.)*
scatterRspace::m0+Elab);
//Just using the exact same com energy from e'p code...
//Ecm = 96.4967424;
//cout<<"A = "<<Nu.A<<" Z = "<<Nu.Z<<endl;
//Doing the scattering from an N-1,A-1 nucleus
scatterRspace scat(Nu.Z,1,Nu.A,pott,title0);
scat.getSmatrix(Ecm,Elab);
// testing out differential cross section
//ofstream cfile("cross.txt");
//
//int count = 1000;
//for(int i=0;i<count;i++){
//double angle = i *(3.14159/count/2);
//double cross = scat.DifferentialXsection(angle);
//angle = angle * (180.0/3.14159);
//cfile<<angle<<" "<<cross<<endl;
//}
string Estring;
ostringstream convert;
convert << Elab ;
Estring = convert.str();
double react = scat.AbsorptionXsection();
rfile<<Elab<<" "<<react<<endl;
//}
} //end of main
int main(int argc, char** argv)
{
double ri = 0.0;
double rf = 1.0;
int npts = 101;
const double nk=2;
const double twopi = 8.0*atan(1.0)*nk;
LinearGrid<double> agrid;
agrid.set(ri,rf,npts);
#if defined(USE_PBC)
typedef OneDimCubicSplinePBC<double> OrbitalType;
#else
typedef OneDimCubicSplineFirst<double> OrbitalType;
#endif
OrbitalType aorb(&agrid);
aorb.resize(agrid.size());
for(int i=0; i<agrid.size(); i++)
{
aorb(i)=FUNCTION(twopi*agrid(i));
}
aorb.spline(0,twopi*DFUNCTION(twopi*agrid.rmin()),agrid.size()-1, twopi*DFUNCTION(twopi*agrid.rmax()));
string fname("testpbc.dat");
std::ofstream dfile(fname.c_str());
dfile.setf(ios::scientific, ios::floatfield);
dfile.setf(ios::left,ios::adjustfield);
dfile.precision(15);
const double c1=1.0/twopi;
const double c2=c1*c1;
double du,d2u,_r,_rinv,y;
#if defined(USE_PBC)
for(int ig=agrid.size()/2; ig<agrid.size() ; ig++)
{
_r = agrid(ig)+0.5*agrid.dr(ig)-agrid.rmax();
_rinv = 1.0/_r;
//aorb.setgrid(_r);
y=aorb.evaluate(_r,_rinv,du,d2u);
dfile << setw(30) << _r << setw(30) << FUNCTION(twopi*_r) << setw(30) << y << setw(30) << du*c1 << setw(3) << d2u*c2 << endl;
}
#endif
for(int ig=0; ig<agrid.size()-1; ig++)
{
_r = agrid(ig)+0.5*agrid.dr(ig);
_rinv = 1.0/_r;
//aorb.setgrid(_r);
y=aorb.evaluate(_r,_rinv,du,d2u);
dfile << setw(30) << _r << setw(30) << FUNCTION(twopi*_r) << setw(30) << y
<< setw(30) << du*c1 << setw(3) << d2u*c2 << endl;
}
#if defined(USE_PBC)
for(int ig=0; ig<agrid.size()/2; ig++)
{
_r = agrid(ig)+0.5*agrid.dr(ig)+agrid.rmax();
_rinv = 1.0/_r;
//aorb.setgrid(_r);
y=aorb.evaluate(_r,_rinv,du,d2u);
dfile << setw(30) << _r << setw(30) << FUNCTION(twopi*_r) << setw(30) << y << setw(30) << du*c1 << setw(3) << d2u*c2 << endl;
}
#endif
dfile << endl;
return 0;
}
int main(){
sky sky;
double hbarc = 197.327;
double Mu = M; //Mass in MeV
cout<<Mu<<endl;
complex <double> M_I(0,1);
// Create momentum space grid
std::vector<double> kmesh;
std::vector<double> kweights;
double const kmax = 5.0;
int const kpts = 170;
kmesh.resize( kpts );
kweights.resize( kpts );
GausLeg( 0., kmax, kmesh, kweights );
////////Input Parameters of the potential (fit parameters) /////
std::string parameters_filename="Input.inp";
NuclearParameters Nu = read_nucleus_parameters( "Input/pca40.inp" );
//I'm altering the potential to represent ca40 after a proton is removed (i.e. the potential for K39)
/*Nu.A = 39.0;
Nu.Z = 19.0;
cout<<Nu.Z<<" "<<Nu.A<<endl;
*/
double Ef=Nu.Ef;
int lmax=20;
double zp0;
double tz=+0.5;
int type=1;
int mvolume = 4;
int AsyVolume = 1;
double A = Nu.A;
double mu = (A)/((A-1.));
if (tz>0) { zp0=1;}
else {zp0=0;}
double ph_gap = Nu.ph_gap;
cout<<"ph_gap = "<<Nu.ph_gap<<endl;
double rStart = .05;
double rmax = 13.51999;
int ham_pts = 340; //300 for highR
double rdelt = rmax / (ham_pts-1);
cout<<"rdelt = "<<rdelt<<endl;
vector<double> dr;
dr.assign(ham_pts,rdelt);
// Construct Parameters Object
Parameters p = get_parameters( parameters_filename, Nu.A, Nu.Z, zp0 );
// Construct Potential Object
pot pottt = get_bobs_pot2( type, mvolume, AsyVolume, tz, Nu, p );
pot * pott = &pottt;
cout<<"kconstant = "<<pott->kconstant<<endl;
boundRspace initiate(rmax , ham_pts , Ef, ph_gap , lmax , Nu.Z , zp0 , Nu.A, pott);
double Elower = -11.61818;
double Eupper = -9.4;
double jj = .5;
int ll = 0;
int Ifine = 1;
initiate.searchNonLoc( Elower, Eupper, jj, ll, Ifine);
initiate.exteriorWaveFunct(ll);
initiate.normalizeWF();
double tol=.01;
double estart=Ef;
///// Making rmesh///
std::vector<double> rmesh_p= initiate.make_rmesh_point();
std::vector<double> rmesh= initiate.make_rmesh();
matrix_t test(rmesh.size(),rmesh.size());
test = initiate.re_hamiltonian(rmesh,Ef,ll,jj);
eigen_t dom_wf_s = initiate.find_boundstate(rmesh, Ef, 1, 0, 0.5, tol);
eigen_t dom_wf_d = initiate.find_boundstate(rmesh, Ef, 0, 2, 1.5, tol);
ofstream dfile("wfdomd32.txt");
ofstream sfile("wfdoms12.txt");
double sf = initiate.sfactor(rmesh,dom_wf_d.first,2,1.5,dom_wf_d.second);
//dfile<<"0.0 0.0"<<endl;
//Going to start from 0.08, since this is what dweepy does for BSWF
//even though the partial wave starts from 0 in dweepy...
for(int i=0;i<rmesh.size();i++){
if(i%2==1){
dfile<<rmesh[i]<<" "<<dom_wf_d.second[i]<<endl;
sfile<<rmesh[i]<<" "<<dom_wf_s.second[i]<<endl;
}
}
double rms = 0.0;
for(int i=0;i<rmesh.size();i++){
rms += pow(dom_wf_d.second[i]*rmesh[i]*rmesh[i],2) * rdelt;
}
rms = sqrt(rms);
cout<<"rms = "<<rms<<endl;
cout<<"d3/2 spectroscopic factor = "<<sf<<endl;
cout<<"d3/2 bound energy = "<<dom_wf_d.first<<endl;
cout<<"s1/2 bound energy = "<<dom_wf_s.first<<endl;
cout<<"Fermi Energy = "<<Ef<<endl;
double rdelt_p = rdelt / 1.025641026;
double Emax = 2*Ef;
double Emin=-200.0 + Emax;
string title = "pca40";
string* title0 = &title;
double E0 = 0.52;
ofstream rfile("react2.txt");
//for(int j=1;j<201;j++){
// double Elab = E0 + j;
double Elab = 100.0;
/*
if (Ecm < 0.) return Ecm/A*(1.+A);
//find momentum of projecile, also momentum of target
double pc = sqrt(Ecm)*sqrt((Ecm+2.*Mu)*(Ecm+2.*A*
Mu)*
(Ecm+2.*(A+1.)*scatterRspace::m0))/2./(Ecm+(A+1)
*Mu);
//velocity of target in units of c
double vtarget = pc/sqrt(pow(pc,2)+pow(A*Mu,2));
//gamma factor for this velocity
double gam = 1./sqrt(1.-pow(vtarget,2));
// tot energy of projectile (neutron or proton in com frame)
double Eproj = sqrt(pow(Mu,2)+pow(pc,2));
double Elab = (Eproj + vtarget*pc)*gam;
//this energy contains rest mass , so remove it
Elab -= Mu;
*/
// A = Nu.A-1;
if (Elab < 0.) return Elab*A/(1.+A);
// center of mass velocity in units of c
double vcm = sqrt(Elab*(Elab+2.*scatterRspace::m0))/(Elab+(1.+A)*
scatterRspace::m0);
//gamma factor for this velocity
double gam = 1./sqrt(1.-std::pow(vcm,2));
double Ecm = (gam-1.)*(1.+A)*scatterRspace::m0 +
gam*Elab*(A-1.)*scatterRspace::m0/((A+1.)*
scatterRspace::m0+Elab);
////Just using the exact same com energy from e'p code...
////Ecm = 96.4967424;
//scatterRspace scat(Nu.Z,1,Nu.A,pott,title0);
//scat.getSmatrix(Ecm,Elab);
//ofstream eout("elast.txt");
//ofstream rout("ruth.txt");
//ifstream din("cross.dat");
//ofstream dout("cross.txt");
////ofstream eout("anal.txt");
//double ruth,cross,angle;
//double data,error,theta;
//int count = 22;
////Just needed to run this once to adjust the data by dividing out rutherford
//for(int i=0;i<count;i++){
//din >> theta >> data >> error;
//ruth = scat.Rutherford(theta*3.14159/180);
//data = data / ruth;
//error = error / ruth;
//dout << theta << " " << data << " " << error << endl;
//}
//din.close();
//dout.close();
//// testing out differential cross section
//count = 1000;
//for(int i=1;i<count;i++){
//angle = i *(3.14159/count/2);
//cross = scat.DifferentialXsection(angle);
//ruth = scat.Rutherford(angle);
//angle = angle * (180.0/3.14159);
//eout<<angle<<" "<<cross/ruth<<endl;
//rout<<angle<<" "<<ruth<<endl;
//}
//eout.close();
//string Estring;
//ostringstream convert;
//convert << Elab ;
//Estring = convert.str();
//double react = scat.AbsorptionXsection();
//rfile<<Elab<<" "<<react<<endl;
//}
} //end of main
// #include"reaction.h"
int main(){
sky sky;
////////Input Parameters of the potential (fit parameters) /////
std::string parameters_filename="Input.inp";
//change this for neutron or proton
NuclearParameters Nu = read_nucleus_parameters( "Input/nca40.inp" );
double Ef=Nu.Ef;
//lmax can't be 6 for high r value
int lmax = 6;
double z0=20.0;
double zp0;
double A0=40.0;
// +1/2 for proton, -1/2 for neutron
double tz=-0.5;
int type=1;
int mvolume = 4;
int AsyVolume = 1;
double A = 40.0;
if (tz>0) { zp0=1;}
else {zp0=0;}
double ph_gap = Nu.ph_gap;
cout<<"ph_gap = "<<Nu.ph_gap<<endl;
double rStart = .05;
double rmax = 20.;
double ham_pts = 300;
double rdelt = rmax / ham_pts;
// Construct Parameters Object
Parameters p = get_parameters( parameters_filename, Nu.A, Nu.Z, zp0 );
// Construct Potential Object
pot pottt = get_bobs_pot2( type, mvolume, AsyVolume, tz, Nu, p );
pot * pott = &pottt;
// store coulomb potential in order to compare with
boundRspace initiate(rmax , ham_pts , Ef, ph_gap , lmax , Nu.Z , zp0 , Nu.A , pott);
double Elower = -11.61818;
double Eupper = -9.4;
double jj = .5;
int ll = 0;
int Ifine = 1;
initiate.searchNonLoc( Elower, Eupper, jj, ll, Ifine);
initiate.exteriorWaveFunct(ll);
initiate.normalizeWF();
double tol=.01;
double estart=Ef;
///// Making rmesh///
std::vector<double> rmesh_p= initiate.make_rmesh_point();
std::vector<double> rmesh= initiate.make_rmesh();
//std::vector<double> rmesh = initiate.make_rmesh_point();
double rdelt_p = rdelt * 39.0/40.0;
// Create momentum space grid
std::vector<double> kmesh;
std::vector<double> kweights;
double const kmax = 5.0;
int const kpts = rmesh.size();
kmesh.resize( kpts );
kweights.resize( kpts );
GausLeg( 0., kmax, kmesh, kweights );
////////////////////////////
//// s and d wave functions////
///////////////////////////
double J = 0.5;
double Emax=-0.005;
//double Emax = 2.0*Ef;
double Emin=-200.0;
//double Emin=-200.0 + Emax;
std::ofstream filee("waves/wave.out");
std::cout<<Elower<<std::endl;
//Generating the propagator
std::vector< lj_eigen_t > bound_levels = initiate.get_bound_levels( rmesh, tol );
cout<<"energy = "<<bound_levels[1][0].first<<endl;
ofstream boundf("waves/bound.txt");
for(int i=0;i<rmesh.size();i++){
boundf<<rmesh[i]<<" "<<bound_levels[1][0].second[i]*rmesh[i]<<endl;
}
std::vector< mesh_t > emesh_vec =
initiate.get_emeshes( rmesh, Emin, Emax, bound_levels );
cout<<"emesh_vec = "<<emesh_vec.size()<<endl;
std::vector< prop_t > prop_vec = initiate.get_propagators( rmesh, emesh_vec );
vector <double> pdist = initiate.point_distribution(rmesh,Emax,emesh_vec,prop_vec,bound_levels);
double occ[7];
double onum=0.0;
double num=0.0;
double part=0;
double kpart=0;
vector<double> p_dist;
p_dist.assign( rmesh.size(), 0 );
vector<double> k_dist;
k_dist.assign( kmesh.size(), 0 );
matrix_t d_mtx( rmesh.size(), rmesh.size() ); // density matrix
d_mtx.clear();
//Starting loop over L and J to go through all the orbitals
//THESE ARE CHANGED TO PRODUCE A SPECIFIC RESULT, CHANGE THEM BACK FOR GENERAL USE
lmax=3;
for(int L=3;L<lmax+1;L++){
for(int s=0;s<2;s++){
J=L-0.5+s;
if(J<0){
J=0.5;
s=1;
}
cout<<"L = "<<L<<" J = "<<J<<endl;
string jlab = sky.jlab(J);
string llab = sky.llab(L);
string dest = "waves/neutron/occ/";
int index=initiate.index_from_LJ(L,J);
const prop_t &propE = prop_vec.at(index);
const mesh_t &emesh = emesh_vec.at(index);
int Nmax = sky.Nmax(L,J);
double socc[Nmax];
string occlab = dest + "sky" + llab + jlab + ".txt";
ofstream focc(occlab.c_str());
// Create Bessel Function matrix in k and r
/* matrix_t bess_mtx( kmesh.size(), rmesh.size() );
bess_mtx.clear();
matrix_t bess_mtx_sky( kmesh.size(), rmesh.size() );
bess_mtx_sky.clear();
for( unsigned int nk = 0; nk < kmesh.size(); ++nk ) {
for( unsigned int nr = 0; nr < rmesh.size(); ++nr ) {
double rho = kmesh[nk] * rmesh[nr];
bess_mtx( nk, nr ) = gsl_sf_bessel_jl( L, kmesh[nk] * rmesh_p[nr]);
bess_mtx_sky( nk, nr ) = gsl_sf_bessel_jl( L, rho );
}
} */
//Starting loop over N
for(int N=0;N<Nmax;N++){
d_mtx.clear();
cout << "N = "<<N<<endl;
string Nlab;
ostringstream convert;
convert << N;
Nlab = convert.str();
vector<double> wf = sky.read_q(N,L,J,rmesh.size());
vector<double> skyrme = sky.read(N,L,J,rmesh.size());
std::vector<double> spec;
std::vector<double> spec0;
//Folding wave functions with S(r,r';E) to get S(E), does it for dom and skyrme wavefunctions
double spf = 0;
occ[N]=0;
socc[N]=0;
//cout<<"emesh size = "<<emesh.size()<<endl;
for(unsigned int n=0;n<emesh.size();++n){
spf=0.0;
double spf0=0;
double Edelt=emesh[n].second;
for( unsigned int i = 0; i < rmesh.size(); ++i ) {
for( unsigned int j = 0; j < rmesh.size(); ++j ) {
spf -= rdelt * skyrme[i] * skyrme[j] *imag( propE[n]( i, j ) ) / M_PI;
d_mtx(i,j) -= imag(propE[n](i,j)) / M_PI / (rmesh[i] * rmesh[j] * rdelt) * Edelt;
}
}
//WANT TO ADD A COUPLE MORE CATCHES IN HERE FOR VARIOUS OTHER ORBITALS!!!!!!!!!!!!!!!!
if(L==0 && N==1 && emesh[n].first > -9){
spf=0;
}else if(L==2 && N==0 && J==1.5 && emesh[n].first > -10){
spf=0;
}else if(L==3 && N==0 && emesh[n].first > -9){
spf=0;
}
spec.push_back(spf);
spec0.push_back(spf0);
occ[N] += spf0*Edelt;
socc[N] += spf*Edelt;
}
//creating the skyrme density
for(int i=0;i<rmesh.size();i++){
p_dist[i] += socc[N] * (2*J+1) * pow(skyrme[i]/rmesh[i],2) / (4*M_PI);
// k_dist[i] += socc[N] * (2*J+1) * pow(ksky[i],2) / (4*M_PI);
}
//this adds the QP peaks to the particle number
if(L==0 && N==1){
const lj_eigen_t &levels = bound_levels.at(index);
double QPE = levels[N].first;
const std::vector<double> &QPF = levels[N].second;
double S = initiate.sfactor( rmesh, QPE, L, J, QPF );
onum += S*(2*J+1);
occ[N] += S;
for(int i=0;i<rmesh.size();i++){
p_dist[i] += S * (2*J+1) * pow(QPF[i],2) / (4*M_PI);
}
//Transforming QPF to k-space
/* vector <double> kqpf;
kqpf.assign(kmesh.size(),0);
for(int ik=0;ik<kmesh.size();ik++){
double kq=0;
for(int ir=0;ir<rmesh.size();ir++){
kq += rdelt_p * sqrt(2.0/M_PI) * bess_mtx(ik,ir) * QPF[ir] * pow(rmesh_p[ir],2);
}
kqpf[ik] = kq;
}
for(int i=0;i<rmesh.size();i++){
k_dist[i] += S * (2*J+1) * pow(kqpf[i],2) / (4*M_PI);
} */
}else if(L==2 && J==1.5 && N==0){
const lj_eigen_t &levels = bound_levels.at(index);
double QPE = levels[N].first;
const std::vector<double> &QPF = levels[N].second;
double S = initiate.sfactor( rmesh, QPE, L, J, QPF );
onum += S*(2*J+1);
occ[N] += S;
for(int i=0;i<rmesh.size();i++){
p_dist[i] += S * (2*J+1) * pow(QPF[i],2) / (4*M_PI);
}
//see what happens if I find QPE using this self energy
//Transforming QPF to k-space
/* vector <double> kqpf;
kqpf.assign(kmesh.size(),0);
for(int ik=0;ik<kmesh.size();ik++){
double kq=0;
for(int ir=0;ir<rmesh.size();ir++){
kq += rdelt_p * sqrt(2.0/M_PI) * bess_mtx(ik,ir) * QPF[ir] * pow(rmesh_p[ir],2);
}
kqpf[ik] = kq;
}
for(int i=0;i<rmesh.size();i++){
k_dist[i] += S * (2*J+1) * pow(kqpf[i],2) / (4*M_PI);
} */
}
/* if(L ==3 && N == 0){
//double QPEf = initiate.find_level(rmesh, -2.0, N, L, J, tol);
eigen_t forbit = initiate.find_boundstate(rmesh, -2.0, N, L, J, tol);
cout <<"QPE "<<llab<<jlab<<" = "<<forbit.first<<endl;
double fs = initiate.sfactor(rmesh, forbit.first, L, J, forbit.second);
cout <<"S "<<llab<<jlab<<" = "<<fs<<endl;
} */
string speclab = dest + "spec" + llab + jlab + Nlab + ".out";
speclab = "waves/neutron/occ/new/spec" + llab + jlab + Nlab + ".out";
ofstream fspec(speclab.c_str());
for(int i=0;i<emesh.size();i++){
fspec<<emesh[i].first<<" "<<emesh[i].second<<" "<<spec[i]<<endl;
//fspec<<emesh[i].first<<" "<<spec[i]<<endl;
}
//change this to occ if you want dom occupation numbers
focc<<socc[N]<<endl;
onum += socc[N]*(2*J+1);
num += occ[N]*(2*J+1);
} //ending loop over N
} //ending loop over j
} //ending loop over L
ofstream sdenr("waves/skydenr.txt");
ofstream sdenk("waves/skydenk.txt");
for(int i=0;i<rmesh.size();i++){
part += p_dist[i] * pow(rmesh_p[i],2) * rdelt_p * 4 * M_PI;
}
for(int i=0;i<rmesh.size();i++){
sdenr<<rmesh_p[i]<<" "<<p_dist[i]/part<<endl;
}
cout<<"particle number from sky occ = "<<onum<<endl;
cout<<"particle number from sky density (r) = "<<part<<endl;
//out<<"particle number from sky density (k) = "<<kpart<<endl;
ofstream dfile("waves/background/wavedmtxt.txt");
for(int i=0;i<rmesh.size();i++){
for(int j=0;j<rmesh.size();j++){
dfile<<d_mtx(i,j)<<" ";
}
dfile<<endl;
}
}
int main(int argc, char** argv){
QStringList arg;
for(int i=0; i<argc; ++i){
arg.append(argv[i]);
}
if(arg.length() != 4){
help();
return -1;
}
const QString sfile = arg[1];
QFile ffile(sfile);
if(!ffile.open(QIODevice::ReadOnly)){
qerr << "Unable to open input file "<<sfile<<endl;
help();
return -1;
}
QTextStream tfile(&ffile);
const QString slfile = arg[2];
QFile flfile(slfile);
if(!flfile.open(QIODevice::WriteOnly)){
qerr << "Unable to open input file "<<slfile<<endl;
help();
return -1;
}
QTextStream lfile(&flfile);
const QString sdfile = arg[3];
QFile fdfile(sdfile);
if(!fdfile.open(QIODevice::WriteOnly)){
qerr << "Unable to open input file "<<sdfile<<endl;
help();
return -1;
}
QTextStream dfile(&fdfile);
// read in transactions from file
QList<Transaction> tlist = readTransactionFile(tfile);
// create a map of transactions searchable by name
QHash<QString,Transaction> tname = mapNameTransaction(tlist);
// create the intermediate transaction states
QHash<TransactionStateHead,TransactionState> tstate = generateTransactionState(tlist);
// create a map of dependencies
QHash<TransactionStateHead,QSet<TransactionEdge> > tgraph = generateStateMap(tstate);
// create a reveresed set of dependencies
QHash<TransactionStateHead,QSet<TransactionEdge> > reverse = reverseStateMap(tgraph);
// create a trimmed set of dependencies
PeerMap trimLive = trimStateMapLive(tgraph, reverse);
PeerMap trimDead = trimStateMapDead(tgraph, reverse);
// printTransactions(qout, tlist);
// printTransactionRoot(qout, tstate);
printTransactionGraph(lfile, trimLive, true);
printTransactionGraph(dfile, trimDead, false);
ffile.close();
flfile.close();
fdfile.close();
return 0;
}
