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add button to stop a run via lammps_force_timeout()

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This commit is contained in:
Axel Kohlmeyer
2023-07-27 03:21:34 -04:00
parent da0669d988
commit f81ee57c97
5 changed files with 78 additions and 38 deletions
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45
tools/lammps-gui/lammpsgui.cpp
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@ -67,6 +67,7 @@ LammpsGui::LammpsGui(QWidget *parent, const char *filename) :
connect(ui->actionUndo, &QAction::triggered, this, &LammpsGui::undo);
connect(ui->actionRedo, &QAction::triggered, this, &LammpsGui::redo);
connect(ui->actionRun_Buffer, &QAction::triggered, this, &LammpsGui::run_buffer);
connect(ui->actionStop_LAMMPS, &QAction::triggered, this, &LammpsGui::stop_run);
connect(ui->actionAbout_LAMMPS_GUI, &QAction::triggered, this, &LammpsGui::about);
#if !QT_CONFIG(clipboard)
@ -237,29 +238,37 @@ void LammpsGui::redo()
ui->textEdit->redo();
}
void LammpsGui::stop_run()
{
#if defined(LAMMPS_GUI_USE_PLUGIN)
((liblammpsplugin_t *)plugin_handle)->force_timeout(lammps_handle);
#else
lammps_force_timeout(lammps_handle);
#endif
}
void LammpsGui::logupdate()
{
double t_elapsed, t_remain, t_total;
int completed = 1000;
if (is_running) {
#if defined(LAMMPS_GUI_USE_PLUGIN)
liblammpsplugin_t *lammps = (liblammpsplugin_t *)plugin_handle;
if (lammps->is_running(lammps_handle)) {
t_elapsed = lammps->get_thermo(lammps_handle, "cpu");
t_remain = lammps->get_thermo(lammps_handle, "cpuremain");
t_total = t_elapsed + t_remain + 1.0e-10;
completed = t_elapsed / t_total * 1000.0;
}
#else
if (lammps_is_running(lammps_handle)) {
t_elapsed = lammps_get_thermo(lammps_handle, "cpu");
t_remain = lammps_get_thermo(lammps_handle, "cpuremain");
t_total = t_elapsed + t_remain + 1.0e-10;
completed = t_elapsed / t_total * 1000.0;
}
#endif
liblammpsplugin_t *lammps = (liblammpsplugin_t *)plugin_handle;
if (lammps->is_running(lammps_handle)) {
t_elapsed = lammps->get_thermo(lammps_handle, "cpu");
t_remain = lammps->get_thermo(lammps_handle, "cpuremain");
t_total = t_elapsed + t_remain + 1.0e-10;
completed = t_elapsed / t_total * 1000.0;
}
#else
if (lammps_is_running(lammps_handle)) {
t_elapsed = lammps_get_thermo(lammps_handle, "cpu");
t_remain = lammps_get_thermo(lammps_handle, "cpuremain");
t_total = t_elapsed + t_remain + 1.0e-10;
completed = t_elapsed / t_total * 1000.0;
}
#endif
progress->setValue(completed);
if (logwindow) {
const auto text = capturer->GetChunk();
@ -283,7 +292,7 @@ void LammpsGui::run_done()
logwindow->insertPlainText(log.c_str());
logwindow->moveCursor(QTextCursor::End);
bool success = true;
bool success = true;
constexpr int BUFLEN = 1024;
char errorbuf[BUFLEN];
@ -345,6 +354,8 @@ void LammpsGui::run_buffer()
logwindow->setMinimumSize(800, 600);
QShortcut *shortcut = new QShortcut(QKeySequence(Qt::CTRL + Qt::Key_W), logwindow);
QObject::connect(shortcut, &QShortcut::activated, logwindow, &QPlainTextEdit::close);
shortcut = new QShortcut(QKeySequence(Qt::CTRL + Qt::Key_Slash), logwindow);
QObject::connect(shortcut, &QShortcut::activated, this, &LammpsGui::stop_run);
logwindow->show();
logupdater = new QTimer(this);