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use LAMMPS-GUI consistenly (instead of LAMMPS GUI)

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This commit is contained in:
Axel Kohlmeyer
2024-07-17 23:01:15 -04:00
parent 2e2dc2abe5
commit c3272297fc
7 changed files with 19 additions and 24 deletions
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7
tools/lammps-gui/CMakeLists.txt
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@ -88,11 +88,6 @@ else()
endif() endif()
endif() endif()
#get_lammps_version(${LAMMPS_SOURCE_DIR}/version.h LAMMPS_VERSION)
#if (LAMMPS_VERSION LESS_EQUAL 20230802)
# message(FATAL_ERROR "LAMMPS GUI v${PROJECT_VERSION} is incompatible with LAMMPS 2 August 2023 or older")
#endif()
set(LAMMPS_PLUGINLIB_DIR ${LAMMPS_DIR}/examples/COUPLE/plugin) set(LAMMPS_PLUGINLIB_DIR ${LAMMPS_DIR}/examples/COUPLE/plugin)
if(LAMMPS_GUI_USE_PLUGIN) if(LAMMPS_GUI_USE_PLUGIN)
if(APPLE) if(APPLE)
@ -118,7 +113,7 @@ if(NOT Qt6_FOUND)
else() else()
set(QT_VERSION_MAJOR 6) set(QT_VERSION_MAJOR 6)
endif() endif()
message(STATUS "Using Qt version ${Qt${QT_VERSION_MAJOR}_VERSION} for LAMMPS GUI") message(STATUS "Using Qt version ${Qt${QT_VERSION_MAJOR}_VERSION} for LAMMPS-GUI")
set(PROJECT_SOURCES set(PROJECT_SOURCES
main.cpp main.cpp

8
tools/lammps-gui/README.md
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@ -1,14 +1,14 @@
LAMMPS GUI LAMMPS-GUI
LAMMPS GUI is essentially a small graphical text editor that is linked LAMMPS-GUI is essentially a small graphical text editor that is linked
to the LAMMPS library and thus can run LAMMPS using the contents of the to the LAMMPS library and thus can run LAMMPS using the contents of the
text buffer as input directly without requiring an additional LAMMPS text buffer as input directly without requiring an additional LAMMPS
executable. It can also capture and show the screen output, a line graph executable. It can also capture and show the screen output, a line graph
of thermodynamic data and snapshot images in separate windows. of thermodynamic data and snapshot images in separate windows.
Detailed documentation about installing and using LAMMPS GUI is in Detailed documentation about installing and using LAMMPS-GUI is in
the LAMMPS manual. the LAMMPS manual.
-------- --------
updated by Axel Kohlmeyer, 2023-08-12 updated by Axel Kohlmeyer, 2024-07-17

2
tools/lammps-gui/codeeditor.cpp
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@ -419,7 +419,7 @@ void CodeEditor::setVarNameList()
{ {
QStringList vars; QStringList vars;
// variable "gui_run" is always defined by LAMMPS GUI // variable "gui_run" is always defined by LAMMPS-GUI
vars << QString("${gui_run}"); vars << QString("${gui_run}");
vars << QString("v_gui_run"); vars << QString("v_gui_run");

2
tools/lammps-gui/lammps-gui.desktop
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@ -4,7 +4,7 @@ Type=Application
Categories=Education;Science Categories=Education;Science
MimeType=text/x-application-lammps MimeType=text/x-application-lammps
Exec=lammps-gui %f Exec=lammps-gui %f
Name=The LAMMPS GUI Name=LAMMPS-GUI
Terminal=false Terminal=false
GenericName=LAMMPS MD Simulator GUI GenericName=LAMMPS MD Simulator GUI
Keywords=MD Simulation;LAMMPS;Molecular Dynamics;N-Body Keywords=MD Simulation;LAMMPS;Molecular Dynamics;N-Body

18
tools/lammps-gui/lammpsgui.cpp
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@ -88,7 +88,7 @@ LammpsGui::LammpsGui(QWidget *parent, const char *filename) :
#define myxstr(x) #x #define myxstr(x) #x
QCoreApplication::setOrganizationName("The LAMMPS Developers"); QCoreApplication::setOrganizationName("The LAMMPS Developers");
QCoreApplication::setOrganizationDomain("lammps.org"); QCoreApplication::setOrganizationDomain("lammps.org");
QCoreApplication::setApplicationName("LAMMPS GUI - QT" stringify(QT_VERSION_MAJOR)); QCoreApplication::setApplicationName("LAMMPS-GUI - QT" stringify(QT_VERSION_MAJOR));
#undef stringify #undef stringify
#undef myxstr #undef myxstr
@ -975,7 +975,7 @@ void LammpsGui::run_done()
void LammpsGui::do_run(bool use_buffer) void LammpsGui::do_run(bool use_buffer)
{ {
if (lammps.is_running()) { if (lammps.is_running()) {
QMessageBox::warning(this, "LAMMPS GUI Error", QMessageBox::warning(this, "LAMMPS-GUI Error",
"Must stop current run before starting a new run"); "Must stop current run before starting a new run");
return; return;
} }
@ -1231,7 +1231,7 @@ void LammpsGui::about()
info += "(Note: this text has been copied to the clipboard)\n"; info += "(Note: this text has been copied to the clipboard)\n";
QMessageBox msg; QMessageBox msg;
msg.setWindowTitle("About LAMMPS"); msg.setWindowTitle("About LAMMPS-GUI");
msg.setWindowIcon(QIcon(":/icons/lammps-icon-128x128.png")); msg.setWindowIcon(QIcon(":/icons/lammps-icon-128x128.png"));
msg.setText(version.c_str()); msg.setText(version.c_str());
msg.setInformativeText(info.c_str()); msg.setInformativeText(info.c_str());
@ -1254,13 +1254,13 @@ void LammpsGui::help()
msg.setWindowTitle("LAMMPS-GUI Quick Help"); msg.setWindowTitle("LAMMPS-GUI Quick Help");
msg.setWindowIcon(QIcon(":/icons/lammps-icon-128x128.png")); msg.setWindowIcon(QIcon(":/icons/lammps-icon-128x128.png"));
msg.setText("<div>This is LAMMPS-GUI version " LAMMPS_GUI_VERSION "</div>"); msg.setText("<div>This is LAMMPS-GUI version " LAMMPS_GUI_VERSION "</div>");
msg.setInformativeText("<p>LAMMPS GUI is a graphical text editor that is customized for " msg.setInformativeText("<p>LAMMPS-GUI is a graphical text editor that is customized for "
"editing LAMMPS input files and linked to the LAMMPS " "editing LAMMPS input files and linked to the LAMMPS "
"library and thus can run LAMMPS directly using the contents of the " "library and thus can run LAMMPS directly using the contents of the "
"text buffer as input. It can retrieve and display information from " "text buffer as input. It can retrieve and display information from "
"LAMMPS while it is running and display visualizations created " "LAMMPS while it is running and display visualizations created "
"with the dump image command.</p>" "with the dump image command.</p>"
"<p>The main window of the LAMMPS GUI is a text editor window with " "<p>The main window of the LAMMPS-GUI is a text editor window with "
"LAMMPS specific syntax highlighting. When typing <b>Ctrl-Enter</b> " "LAMMPS specific syntax highlighting. When typing <b>Ctrl-Enter</b> "
"or clicking on 'Run LAMMMPS' in the 'Run' menu, LAMMPS will be run " "or clicking on 'Run LAMMMPS' in the 'Run' menu, LAMMPS will be run "
"with the contents of editor buffer as input. The output of the LAMMPS " "with the contents of editor buffer as input. The output of the LAMMPS "
@ -1273,7 +1273,7 @@ void LammpsGui::help()
"viewer window by typing <b>Ctrl-i</b> or by clicking on 'View Image' " "viewer window by typing <b>Ctrl-i</b> or by clicking on 'View Image' "
"in the 'Run' menu. Multiple image settings can be changed through the " "in the 'Run' menu. Multiple image settings can be changed through the "
"buttons in the menu bar and the image will be re-renderd. In case " "buttons in the menu bar and the image will be re-renderd. In case "
"an input file contains a dump image command, LAMMPS GUI will load " "an input file contains a dump image command, LAMMPS-GUI will load "
"the images as they are created and display them in a slide show. </p>" "the images as they are created and display them in a slide show. </p>"
"<p>When opening a file, the editor will determine the directory " "<p>When opening a file, the editor will determine the directory "
"where the input file resides and switch its current working directory " "where the input file resides and switch its current working directory "
@ -1291,13 +1291,13 @@ void LammpsGui::help()
"entry in the context menu, available by right-clicking the mouse. " "entry in the context menu, available by right-clicking the mouse. "
"Log, chart, slide show, and image windows can be closed with " "Log, chart, slide show, and image windows can be closed with "
"<b>Ctrl-W</b> and the application terminated with <b>Ctrl-Q</b>.</p>" "<b>Ctrl-W</b> and the application terminated with <b>Ctrl-Q</b>.</p>"
"<p>The 'About LAMMPS' dialog will show the LAMMPS version and the " "<p>The 'About LAMMPS-GUI' dialog will show the LAMMPS version and the "
"features included into the LAMMPS library linked to the LAMMPS GUI. " "features included into the LAMMPS library linked to the LAMMPS-GUI. "
"A number of settings can be adjusted in the 'Preferences' dialog (in " "A number of settings can be adjusted in the 'Preferences' dialog (in "
"the 'Edit' menu or from <b>Ctrl-P</b>) which includes selecting " "the 'Edit' menu or from <b>Ctrl-P</b>) which includes selecting "
"accelerator packages and number of OpenMP threads. Due to its nature " "accelerator packages and number of OpenMP threads. Due to its nature "
"as a graphical application, it is <b>not</b> possible to use the " "as a graphical application, it is <b>not</b> possible to use the "
"LAMMPS GUI in parallel with MPI.</p>"); "LAMMPS-GUI in parallel with MPI.</p>");
msg.setIconPixmap(QPixmap(":/icons/lammps-icon-128x128.png").scaled(64, 64)); msg.setIconPixmap(QPixmap(":/icons/lammps-icon-128x128.png").scaled(64, 64));
msg.setStandardButtons(QMessageBox::Close); msg.setStandardButtons(QMessageBox::Close);
msg.exec(); msg.exec();

4
tools/lammps-gui/lammpsgui.ui
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@ -306,7 +306,7 @@
<iconset theme=":/icons/document-revert.png"/> <iconset theme=":/icons/document-revert.png"/>
</property> </property>
<property name="text"> <property name="text">
<string>Reset to &amp;Defaults</string> <string>Reset Preferences to &amp;Defaults</string>
</property> </property>
</action> </action>
<action name="actionView_in_OVITO"> <action name="actionView_in_OVITO">
@ -442,7 +442,7 @@
<iconset theme=":/icons/system-help.png"/> <iconset theme=":/icons/system-help.png"/>
</property> </property>
<property name="text"> <property name="text">
<string>LAMMPS GUI Howto</string> <string>LAMMPS-GUI Howto</string>
</property> </property>
<property name="shortcut"> <property name="shortcut">
<string>Ctrl+Shift+G</string> <string>Ctrl+Shift+G</string>

2
tools/lammps-gui/lammpswrapper.cpp
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@ -28,7 +28,7 @@ LammpsWrapper::LammpsWrapper() : lammps_handle(nullptr)
void LammpsWrapper::open(int narg, char **args) void LammpsWrapper::open(int narg, char **args)
{ {
// since there may only be one LAMMPS instance in LAMMPS GUI we don't open a second // since there may only be one LAMMPS instance in LAMMPS-GUI we don't open a second one
if (lammps_handle) return; if (lammps_handle) return;
#if defined(LAMMPS_GUI_USE_PLUGIN) #if defined(LAMMPS_GUI_USE_PLUGIN)
lammps_handle = ((liblammpsplugin_t *)plugin_handle)->open_no_mpi(narg, args, nullptr); lammps_handle = ((liblammpsplugin_t *)plugin_handle)->open_no_mpi(narg, args, nullptr);