320 lines
12 KiB
C++
320 lines
12 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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LAMMPS development team: developers@lammps.org
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "preferences.h"
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#include "lammpswrapper.h"
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#include <QCheckBox>
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#include <QCoreApplication>
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#include <QDialogButtonBox>
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#include <QDir>
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#include <QDoubleValidator>
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#include <QFileDialog>
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#include <QGroupBox>
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#include <QHBoxLayout>
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#include <QIntValidator>
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#include <QLabel>
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#include <QLineEdit>
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#include <QMessageBox>
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#include <QPushButton>
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#include <QRadioButton>
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#include <QSettings>
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#include <QSpacerItem>
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#include <QTabWidget>
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#include <QVBoxLayout>
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#if defined(_OPENMP)
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#include <omp.h>
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#endif
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Preferences::Preferences(LammpsWrapper *_lammps, QWidget *parent) :
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QDialog(parent), tabWidget(new QTabWidget),
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buttonBox(new QDialogButtonBox(QDialogButtonBox::Ok | QDialogButtonBox::Cancel)),
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settings(new QSettings), lammps(_lammps)
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{
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tabWidget->addTab(new GeneralTab(settings, lammps), "&General Settings");
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tabWidget->addTab(new AcceleratorTab(settings, lammps), "&Accelerators");
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tabWidget->addTab(new SnapshotTab(settings), "&Snapshot Image");
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connect(buttonBox, &QDialogButtonBox::accepted, this, &Preferences::accept);
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connect(buttonBox, &QDialogButtonBox::rejected, this, &QDialog::reject);
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auto *layout = new QVBoxLayout;
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layout->addWidget(tabWidget);
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layout->addWidget(buttonBox);
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setLayout(layout);
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setWindowTitle("LAMMPS-GUI - Preferences");
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resize(500, 400);
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}
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Preferences::~Preferences()
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{
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delete buttonBox;
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delete tabWidget;
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delete settings;
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}
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void Preferences::accept()
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{
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// store all data in settings class
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// and then confirm accepting
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// store selected accelerator
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QList<QRadioButton *> allButtons = tabWidget->findChildren<QRadioButton *>();
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for (int i = 0; i < allButtons.size(); ++i) {
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if (allButtons[i]->isChecked()) {
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if (allButtons[i]->objectName() == "none")
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settings->setValue("accelerator", QString::number(AcceleratorTab::None));
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if (allButtons[i]->objectName() == "opt")
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settings->setValue("accelerator", QString::number(AcceleratorTab::Opt));
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if (allButtons[i]->objectName() == "openmp")
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settings->setValue("accelerator", QString::number(AcceleratorTab::OpenMP));
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if (allButtons[i]->objectName() == "intel")
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settings->setValue("accelerator", QString::number(AcceleratorTab::Intel));
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if (allButtons[i]->objectName() == "kokkos")
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settings->setValue("accelerator", QString::number(AcceleratorTab::Kokkos));
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if (allButtons[i]->objectName() == "gpu")
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settings->setValue("accelerator", QString::number(AcceleratorTab::Gpu));
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}
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}
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// store number of threads
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QLineEdit *field = tabWidget->findChild<QLineEdit *>("nthreads");
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if (field)
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if (field->hasAcceptableInput()) settings->setValue("nthreads", field->text());
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// store image width, height, and zoom
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settings->beginGroup("snapshot");
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field = tabWidget->findChild<QLineEdit *>("xsize");
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if (field)
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if (field->hasAcceptableInput()) settings->setValue("xsize", field->text());
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field = tabWidget->findChild<QLineEdit *>("ysize");
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if (field)
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if (field->hasAcceptableInput()) settings->setValue("ysize", field->text());
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field = tabWidget->findChild<QLineEdit *>("zoom");
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if (field)
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if (field->hasAcceptableInput()) settings->setValue("zoom", field->text());
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settings->endGroup();
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// general settings
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QCheckBox *box = tabWidget->findChild<QCheckBox *>("echo");
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if (box) settings->setValue("echo", box->isChecked() ? "1" : "0");
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box = tabWidget->findChild<QCheckBox *>("cite");
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if (box) settings->setValue("cite", box->isChecked() ? "1" : "0");
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QDialog::accept();
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}
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GeneralTab::GeneralTab(QSettings *_settings, LammpsWrapper *_lammps, QWidget *parent) :
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QWidget(parent), settings(_settings), lammps(_lammps)
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{
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auto *layout = new QVBoxLayout;
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auto *echo = new QCheckBox("Echo input to log");
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echo->setCheckState(settings->value("echo", "0").toInt() ? Qt::Checked : Qt::Unchecked);
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echo->setObjectName("echo");
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auto *cite = new QCheckBox("Include Citations");
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cite->setCheckState(settings->value("cite", "0").toInt() ? Qt::Checked : Qt::Unchecked);
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cite->setObjectName("cite");
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#if !defined(__APPLE__)
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auto *tmplabel = new QLabel("Scratch Folder:");
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auto *tmpedit = new QLineEdit(settings->value("tempdir", ".").toString());
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auto *tmpbrowse = new QPushButton("Browse...");
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auto *tmplayout = new QHBoxLayout;
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tmpedit->setObjectName("tmpedit");
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tmplayout->addWidget(tmplabel);
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tmplayout->addWidget(tmpedit);
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tmplayout->addWidget(tmpbrowse);
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#endif
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#if defined(LAMMPS_GUI_USE_PLUGIN)
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auto *pluginlabel = new QLabel("Path to LAMMPS Shared Library File:");
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auto *pluginedit =
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new QLineEdit(settings->value("plugin_path", "liblammpsplugin.so").toString());
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auto *pluginbrowse = new QPushButton("Browse...");
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auto *pluginlayout = new QHBoxLayout;
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pluginedit->setObjectName("pluginedit");
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pluginlayout->addWidget(pluginedit);
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pluginlayout->addWidget(pluginbrowse);
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connect(pluginbrowse, &QPushButton::released, this, &GeneralTab::pluginpath);
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#endif
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layout->addWidget(echo);
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layout->addWidget(cite);
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#if !defined(__APPLE__)
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layout->addLayout(tmplayout);
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#endif
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#if defined(LAMMPS_GUI_USE_PLUGIN)
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layout->addWidget(pluginlabel);
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layout->addLayout(pluginlayout);
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#endif
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layout->addStretch(1);
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setLayout(layout);
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}
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void GeneralTab::newtmpfolder()
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{
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QLineEdit *field = findChild<QLineEdit *>("tmpedit");
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QString tmpdir =
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QFileDialog::getExistingDirectory(this, "Find Folder for Temporary Files", field->text());
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if (!tmpdir.isEmpty()) field->setText(tmpdir);
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}
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void GeneralTab::pluginpath()
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{
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QLineEdit *field = findChild<QLineEdit *>("pluginedit");
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QString pluginfile =
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QFileDialog::getOpenFileName(this, "Select Shared LAMMPS Library to Load", field->text(),
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"Shared Objects (*.so *.dll *.dylib)");
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if (!pluginfile.isEmpty() && pluginfile.contains("liblammps", Qt::CaseSensitive)) {
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if (lammps->load_lib(pluginfile.toStdString().c_str())) {
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auto canonical = QFileInfo(pluginfile).canonicalFilePath();
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field->setText(pluginfile);
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settings->setValue("plugin_path", canonical);
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} else {
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// plugin did not load cannot continue
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settings->remove("plugin_path");
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QMessageBox::critical(this, "Error", "Cannot open LAMMPS shared library file");
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QCoreApplication::quit();
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}
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}
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}
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AcceleratorTab::AcceleratorTab(QSettings *_settings, LammpsWrapper *_lammps, QWidget *parent) :
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QWidget(parent), settings(_settings), lammps(_lammps)
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{
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auto *mainLayout = new QHBoxLayout;
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auto *accelerator = new QGroupBox("Choose Accelerator:");
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auto *none = new QRadioButton("&None");
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auto *opt = new QRadioButton("O&pt");
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auto *openmp = new QRadioButton("&OpenMP");
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auto *intel = new QRadioButton("&Intel");
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auto *kokkos = new QRadioButton("&Kokkos");
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auto *gpu = new QRadioButton("&GPU");
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auto *buttonLayout = new QVBoxLayout;
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buttonLayout->addWidget(none);
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buttonLayout->addWidget(opt);
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buttonLayout->addWidget(openmp);
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buttonLayout->addWidget(intel);
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buttonLayout->addWidget(kokkos);
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buttonLayout->addWidget(gpu);
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buttonLayout->addStretch(1);
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accelerator->setLayout(buttonLayout);
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mainLayout->addWidget(accelerator);
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none->setEnabled(true);
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none->setObjectName("none");
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opt->setEnabled(lammps->config_has_package("OPT"));
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opt->setObjectName("opt");
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openmp->setEnabled(lammps->config_has_package("OPENMP"));
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openmp->setObjectName("openmp");
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intel->setEnabled(lammps->config_has_package("INTEL"));
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intel->setObjectName("intel");
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// Kokkos support only works with OpenMP for now.
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kokkos->setEnabled(false);
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if (lammps->config_has_package("KOKKOS")) {
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if (lammps->config_accelerator("KOKKOS", "api", "openmp") &&
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!(lammps->config_accelerator("KOKKOS", "api", "cuda") ||
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lammps->config_accelerator("KOKKOS", "api", "hip") ||
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lammps->config_accelerator("KOKKOS", "api", "sycl")))
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kokkos->setEnabled(true);
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}
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kokkos->setObjectName("kokkos");
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gpu->setEnabled(lammps->config_has_package("GPU") && lammps->has_gpu_device());
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gpu->setObjectName("gpu");
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int choice = settings->value("accelerator", AcceleratorTab::None).toInt();
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switch (choice) {
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case AcceleratorTab::Opt:
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if (opt->isEnabled()) opt->setChecked(true);
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break;
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case AcceleratorTab::OpenMP:
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if (openmp->isEnabled()) openmp->setChecked(true);
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break;
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case AcceleratorTab::Intel:
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if (intel->isEnabled()) intel->setChecked(true);
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break;
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case AcceleratorTab::Kokkos:
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if (kokkos->isEnabled()) kokkos->setChecked(true);
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break;
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case AcceleratorTab::Gpu:
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if (gpu->isEnabled()) gpu->setChecked(true);
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break;
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case AcceleratorTab::None: // fallthrough
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default:
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none->setChecked(true);
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break;
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}
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int maxthreads = 1;
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#if defined(_OPENMP)
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maxthreads = omp_get_max_threads();
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#endif
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auto *choices = new QFrame;
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auto *choiceLayout = new QVBoxLayout;
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auto *ntlabel = new QLabel("Number of threads:");
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auto *ntchoice = new QLineEdit(settings->value("nthreads", maxthreads).toString());
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auto *intval = new QIntValidator(1, maxthreads, this);
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ntchoice->setValidator(intval);
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ntchoice->setObjectName("nthreads");
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choiceLayout->addWidget(ntlabel);
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choiceLayout->addWidget(ntchoice);
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choices->setLayout(choiceLayout);
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choiceLayout->addStretch(1);
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mainLayout->addWidget(choices);
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setLayout(mainLayout);
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}
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SnapshotTab::SnapshotTab(QSettings *_settings, QWidget *parent) :
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QWidget(parent), settings(_settings)
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{
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auto *grid = new QGridLayout;
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auto *xsize = new QLabel("Image width:");
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auto *ysize = new QLabel("Image height:");
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auto *zoom = new QLabel("Zoom factor:");
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settings->beginGroup("snapshot");
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auto *xval = new QLineEdit(settings->value("xsize", "800").toString());
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auto *yval = new QLineEdit(settings->value("ysize", "600").toString());
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auto *zval = new QLineEdit(settings->value("zoom", "1.0").toString());
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settings->endGroup();
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auto *intval = new QIntValidator(100, 100000, this);
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xval->setValidator(intval);
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xval->setObjectName("xsize");
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yval->setValidator(intval);
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yval->setObjectName("ysize");
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zval->setValidator(new QDoubleValidator(0.01, 100.0, 100, this));
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zval->setObjectName("zoom");
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grid->addWidget(xsize, 0, 0, Qt::AlignTop);
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grid->addWidget(ysize, 1, 0, Qt::AlignTop);
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grid->addWidget(zoom, 2, 0, Qt::AlignTop);
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grid->addWidget(xval, 0, 1, Qt::AlignTop);
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grid->addWidget(yval, 1, 1, Qt::AlignTop);
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grid->addWidget(zval, 2, 1, Qt::AlignTop);
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grid->addItem(new QSpacerItem(100, 100, QSizePolicy::Minimum, QSizePolicy::Expanding), 3, 0);
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grid->addItem(new QSpacerItem(100, 100, QSizePolicy::Minimum, QSizePolicy::Expanding), 3, 1);
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grid->addItem(new QSpacerItem(100, 100, QSizePolicy::Expanding, QSizePolicy::Expanding), 3, 2);
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setLayout(grid);
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}
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// Local Variables:
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// c-basic-offset: 4
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// End:
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