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must stop running LAMMPS simulation before we can close the lammps object

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This commit is contained in:
Axel Kohlmeyer
2023-08-16 13:06:09 -04:00
parent ebbce58da6
commit 2c8a3d87a0
2 changed files with 21 additions and 1 deletions
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20
tools/lammps-gui/lammpsgui.cpp
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@ -296,6 +296,10 @@ void LammpsGui::new_document()
current_file.clear();
ui->textEdit->document()->setPlainText(QString());
if (lammps.is_running()) {
stop_run();
runner->wait();
}
lammps.close();
lammpsstatus->hide();
setWindowTitle(QString("LAMMPS-GUI - *unknown*"));
@ -565,6 +569,10 @@ void LammpsGui::save_as()
void LammpsGui::quit()
{
if (lammps.is_running()) {
stop_run();
runner->wait();
}
lammps.close();
lammpsstatus->hide();
lammps.finalize();
@ -822,7 +830,7 @@ void LammpsGui::run_buffer()
char *input = mystrdup(ui->textEdit->toPlainText().toStdString() + "\n");
is_running = true;
LammpsRunner *runner = new LammpsRunner(this);
runner = new LammpsRunner(this);
runner->setup_run(&lammps, input);
connect(runner, &LammpsRunner::resultReady, this, &LammpsGui::run_done);
connect(runner, &LammpsRunner::finished, runner, &QObject::deleteLater);
@ -1051,6 +1059,11 @@ void LammpsGui::edit_variables()
SetVariables vars(newvars);
if (vars.exec() == QDialog::Accepted) {
variables = newvars;
if (lammps.is_running()) {
stop_run();
runner->wait();
delete runner;
}
lammps.close();
lammpsstatus->hide();
}
@ -1073,6 +1086,11 @@ void LammpsGui::preferences()
(oldthreads != settings.value("nthreads", 1).toInt()) ||
(oldecho != settings.value("echo", 0).toInt()) ||
(oldcite != settings.value("cite", 0).toInt())) {
if (lammps.is_running()) {
stop_run();
runner->wait();
delete runner;
}
lammps.close();
lammpsstatus->hide();
}