add button to stop a run via lammps_force_timeout()

tools/lammps-gui/lammpsgui.cpp

@@ -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;
+    liblammpsplugin_t *lammps = (liblammpsplugin_t *)plugin_handle;
-        if (lammps->is_running(lammps_handle)) {
+    if (lammps->is_running(lammps_handle)) {
-            t_elapsed = lammps->get_thermo(lammps_handle, "cpu");
+        t_elapsed = lammps->get_thermo(lammps_handle, "cpu");
-            t_remain  = lammps->get_thermo(lammps_handle, "cpuremain");
+        t_remain  = lammps->get_thermo(lammps_handle, "cpuremain");
-            t_total   = t_elapsed + t_remain + 1.0e-10;
+        t_total   = t_elapsed + t_remain + 1.0e-10;
-            completed = t_elapsed / t_total * 1000.0;
+        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
     }
+#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);

tools/lammps-gui/lammpsgui.h

@@ -59,6 +59,7 @@ private slots:
     void redo();
     void clear();
     void run_buffer();
+    void stop_run();
     void about();
     void logupdate();
 

tools/lammps-gui/lammpsgui.ui

@@ -68,15 +68,23 @@
     <addaction name="actionCut"/>
     <addaction name="actionPaste"/>
    </widget>
+   <widget class="QMenu" name="menu_Run">
+    <property name="title">
+     <string>&amp;Run</string>
+    </property>
+    <addaction name="actionRun_Buffer"/>
+    <addaction name="actionStop_LAMMPS"/>
+   </widget>
    <addaction name="menuFile"/>
    <addaction name="menuEdit"/>
-   <addaction name="actionRun_Buffer"/>
+   <addaction name="menu_Run"/>
    <addaction name="actionAbout_LAMMPS_GUI"/>
   </widget>
   <widget class="QStatusBar" name="statusbar"/>
   <action name="actionNew">
    <property name="icon">
-    <iconset theme="document-new"/>
+    <iconset theme="document-new">
+     <normaloff>.</normaloff>.</iconset>
    </property>
    <property name="text">
     <string>&amp;New</string>
@@ -93,7 +101,8 @@
   </action>
   <action name="actionOpen">
    <property name="icon">
-    <iconset theme="document-open"/>
+    <iconset theme="document-open">
+     <normaloff>.</normaloff>.</iconset>
    </property>
    <property name="text">
     <string>&amp;Open</string>
@@ -110,7 +119,8 @@
   </action>
   <action name="actionSave">
    <property name="icon">
-    <iconset theme="document-save"/>
+    <iconset theme="document-save">
+     <normaloff>.</normaloff>.</iconset>
    </property>
    <property name="text">
     <string>&amp;Save</string>
@@ -127,7 +137,8 @@
   </action>
   <action name="actionSave_As">
    <property name="icon">
-    <iconset theme="document-save-as"/>
+    <iconset theme="document-save-as">
+     <normaloff>.</normaloff>.</iconset>
    </property>
    <property name="text">
     <string>Save &amp;As</string>
@@ -144,7 +155,8 @@
   </action>
   <action name="actionQuit">
    <property name="icon">
-    <iconset theme="application-exit"/>
+    <iconset theme="application-exit">
+     <normaloff>.</normaloff>.</iconset>
    </property>
    <property name="text">
     <string>&amp;Quit</string>
@@ -161,7 +173,8 @@
   </action>
   <action name="actionCut">
    <property name="icon">
-    <iconset theme="edit-cut"/>
+    <iconset theme="edit-cut">
+     <normaloff>.</normaloff>.</iconset>
    </property>
    <property name="text">
     <string>C&amp;ut</string>
@@ -175,7 +188,8 @@
   </action>
   <action name="actionCopy">
    <property name="icon">
-    <iconset theme="edit-copy"/>
+    <iconset theme="edit-copy">
+     <normaloff>.</normaloff>.</iconset>
    </property>
    <property name="text">
     <string>&amp;Copy</string>
@@ -189,7 +203,8 @@
   </action>
   <action name="actionPaste">
    <property name="icon">
-    <iconset theme="edit-paste"/>
+    <iconset theme="edit-paste">
+     <normaloff>.</normaloff>.</iconset>
    </property>
    <property name="text">
     <string>&amp;Paste</string>
@@ -203,7 +218,8 @@
   </action>
   <action name="actionUndo">
    <property name="icon">
-    <iconset theme="edit-undo"/>
+    <iconset theme="edit-undo">
+     <normaloff>.</normaloff>.</iconset>
    </property>
    <property name="text">
     <string>&amp;Undo</string>
@@ -217,7 +233,8 @@
   </action>
   <action name="actionRedo">
    <property name="icon">
-    <iconset theme="edit-redo"/>
+    <iconset theme="edit-redo">
+     <normaloff>.</normaloff>.</iconset>
    </property>
    <property name="text">
     <string>&amp;Redo</string>
@@ -230,6 +247,9 @@
    </property>
   </action>
   <action name="actionRun_Buffer">
+   <property name="icon">
+    <iconset theme="emblem-default"/>
+   </property>
    <property name="text">
     <string>&amp;Run LAMMPS</string>
    </property>
@@ -240,6 +260,20 @@
     <string>Ctrl+Return</string>
    </property>
   </action>
+  <action name="actionStop_LAMMPS">
+   <property name="icon">
+    <iconset theme="process-stop"/>
+   </property>
+   <property name="text">
+    <string>&amp;Stop LAMMPS</string>
+   </property>
+   <property name="toolTip">
+    <string>Stop LAMMPS Process</string>
+   </property>
+   <property name="shortcut">
+    <string>Ctrl+/</string>
+   </property>
+  </action>
   <action name="actionAbout_LAMMPS_GUI">
    <property name="text">
     <string>&amp;About</string>

tools/lammps-gui/linenumberarea.h

@@ -21,16 +21,10 @@ class LineNumberArea : public QWidget {
 public:
     LineNumberArea(CodeEditor *editor) : QWidget(editor), codeEditor(editor) {}
 
-    QSize sizeHint() const override
+    QSize sizeHint() const override { return QSize(codeEditor->lineNumberAreaWidth(), 0); }
-    {
-        return QSize(codeEditor->lineNumberAreaWidth(), 0);
-    }
 
 protected:
-    void paintEvent(QPaintEvent *event) override
+    void paintEvent(QPaintEvent *event) override { codeEditor->lineNumberAreaPaintEvent(event); }
-    {
-        codeEditor->lineNumberAreaPaintEvent(event);
-    }
 
 private:
     CodeEditor *codeEditor;

tools/lammps-gui/stdcapture.cpp

@@ -35,7 +35,7 @@
 #include <fcntl.h>
 #include <thread>
 
-StdCapture::StdCapture() :  m_oldStdOut(0), m_capturing(false)
+StdCapture::StdCapture() : m_oldStdOut(0), m_capturing(false)
 {
     // make stdout unbuffered so that we don't need to flush the stream
     setvbuf(stdout, NULL, _IONBF, 0);
@@ -105,7 +105,7 @@ std::string StdCapture::GetChunk()
 {
     if (!m_capturing) return std::string();
     int bytesRead = 0;
-    buf[0] = '\0';
+    buf[0]        = '\0';
 
 #ifdef _WIN32
     if (!eof(m_pipe[READ])) {