ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

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

Browse Source
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
Download Patch File Download Diff File Expand all files Collapse all files

20
tools/lammps-gui/lammpsgui.cpp
View File

@ -296,6 +296,10 @@ void LammpsGui::new_document()
current_file.clear(); current_file.clear();
ui->textEdit->document()->setPlainText(QString()); ui->textEdit->document()->setPlainText(QString());
if (lammps.is_running()) {
stop_run();
runner->wait();
}
lammps.close(); lammps.close();
lammpsstatus->hide(); lammpsstatus->hide();
setWindowTitle(QString("LAMMPS-GUI - *unknown*")); setWindowTitle(QString("LAMMPS-GUI - *unknown*"));
@ -565,6 +569,10 @@ void LammpsGui::save_as()
void LammpsGui::quit() void LammpsGui::quit()
{ {
if (lammps.is_running()) {
stop_run();
runner->wait();
}
lammps.close(); lammps.close();
lammpsstatus->hide(); lammpsstatus->hide();
lammps.finalize(); lammps.finalize();
@ -822,7 +830,7 @@ void LammpsGui::run_buffer()
char *input = mystrdup(ui->textEdit->toPlainText().toStdString() + "\n"); char *input = mystrdup(ui->textEdit->toPlainText().toStdString() + "\n");
is_running = true; is_running = true;
LammpsRunner *runner = new LammpsRunner(this); runner = new LammpsRunner(this);
runner->setup_run(&lammps, input); runner->setup_run(&lammps, input);
connect(runner, &LammpsRunner::resultReady, this, &LammpsGui::run_done); connect(runner, &LammpsRunner::resultReady, this, &LammpsGui::run_done);
connect(runner, &LammpsRunner::finished, runner, &QObject::deleteLater); connect(runner, &LammpsRunner::finished, runner, &QObject::deleteLater);
@ -1051,6 +1059,11 @@ void LammpsGui::edit_variables()
SetVariables vars(newvars); SetVariables vars(newvars);
if (vars.exec() == QDialog::Accepted) { if (vars.exec() == QDialog::Accepted) {
variables = newvars; variables = newvars;
if (lammps.is_running()) {
stop_run();
runner->wait();
delete runner;
}
lammps.close(); lammps.close();
lammpsstatus->hide(); lammpsstatus->hide();
} }
@ -1073,6 +1086,11 @@ void LammpsGui::preferences()
(oldthreads != settings.value("nthreads", 1).toInt()) || (oldthreads != settings.value("nthreads", 1).toInt()) ||
(oldecho != settings.value("echo", 0).toInt()) || (oldecho != settings.value("echo", 0).toInt()) ||
(oldcite != settings.value("cite", 0).toInt())) { (oldcite != settings.value("cite", 0).toInt())) {
if (lammps.is_running()) {
stop_run();
runner->wait();
delete runner;
}
lammps.close(); lammps.close();
lammpsstatus->hide(); lammpsstatus->hide();
} }

2
tools/lammps-gui/lammpsgui.h
View File

@ -26,6 +26,7 @@
// forward declarations // forward declarations
class GeneralTab; class GeneralTab;
class LammpsRunner;
QT_BEGIN_NAMESPACE QT_BEGIN_NAMESPACE
namespace Ui { namespace Ui {
@ -114,6 +115,7 @@ private:
QList<QPair<QString, QString>> variables; QList<QPair<QString, QString>> variables;
LammpsWrapper lammps; LammpsWrapper lammps;
LammpsRunner *runner;
std::string plugin_path; std::string plugin_path;
bool is_running; bool is_running;
std::vector<char *> lammps_args; std::vector<char *> lammps_args;