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LAMMPS GUI improvements #3883

Merged
merged 80 commits into from
Aug 16, 2023
Merged

LAMMPS GUI improvements #3883

merged 80 commits into from
Aug 16, 2023

Commits on Aug 9, 2023

  1. improve LAMMPS GUI docs, add info about using the Linux-2-Windows cro… 

    …ss-compiler
    @akohlmey
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  2. remember the size of the main window

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  3. subclass QPlainTextEdit for logwindows, so we can store its size on c… 

    …lose

also some more settings tweaks (e.g. do not store window size when maximized)
and add setting to replace log windows instead or creating new ones.
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  4. add chart viewer window to show graphs of ongoing runs from thermo data

    @akohlmey
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  5. complete chart view window with option to select chart from thermo co… 

    …lumns
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  6. add preference option to replace chart window

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  7. update TODO list

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  8. add support to export collected Thermo data to gnuplot .dat and excel… 

    … .csv
    @akohlmey
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  9. update docs

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  10. update TODO list

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  11. tweaks to syntax highlighting

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  12. Simplify QtCreator file, update TODO once more, tag patch level

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  13. enforce C locale, so that numbers are created and parsed correctly in… 

    … the GUI text editor
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  14. add option to set visibility of log and chart windows from menu and i… 

    …n preferences
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  15. force C locale from within the LAMMPS GUI app

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  16. step patch level for lammps-gui

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  17. fall back to "none" accelerator, if one was selected, but is no longe… 

    …r available
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  18. simplify font selection and prepare for making it a preference

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  19. add preference option to select default and text font

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  20. fix ability to select a temporary directory (for image files)

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  21. make font size in "About" dialog 3/4 the default size.

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  22. add info about accelerator support and communication

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  23. more "About" dialog box tweaks

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  24. recover lost "reset to defaults" action

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Commits on Aug 10, 2023

  1. small tweak

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  2. update TODO list

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  3. add support to store the 5 most recent files and add them to the file… 

    … menu
    @akohlmey
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  4. fix typos

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  5. update TODO, remove useless file

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  6. Merge branch 'develop' into lammps-gui-improvements

    @akohlmey
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  7. more ideas

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  8. add a few more ideas

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  9. remove scrollwheel support, add prototype buttons

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Commits on Aug 11, 2023

  1. add support for Image rendering with up to 4x4 antialiasing and SSAO … 

    …mode
    @akohlmey
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  2. only close LAMMPS instance if preferences for command line flags have… 

    … changed
    @akohlmey
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  3. update status message while rendering snapshot image

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  4. add support for near-interactive image processing

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  5. add pixmaps to image viewer buttons

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  6. more image window tweaks 

    - add image windows to View menu
- add setting to replace old image view instead of creating a new one
- add setting to turn on/off box
- add setting to turn on/off axes
    @akohlmey
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  7. use platform abstractions from Qt library

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Commits on Aug 12, 2023

  1. add parser that collects info about possible variables to be set from… 

    … the command line
    @akohlmey
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  2. add set variables dialog

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  3. complete implementation of variable setting dialog

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  4. add missing icon

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  5. avoid legacy compilation failures on recent ubuntu machines that only… 

    … have python3-config
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  6. implement context specific help either via right-click or CTRL-?

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Commits on Aug 13, 2023

  1. also linke the principal command when linking styles

    @akohlmey
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  2. Start working on a LAMMPS GUI howto 

    Docs are now organized as follows:
- README is minimal and points to other docs
- The section in Tools.rst mostly explains compilation and installation
- The Howto contains a tour of the GUI and explains intended functionality
    @akohlmey
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  3. desktop integration for Linux, embedded icons on Windows

    @akohlmey
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  4. more doc improvements

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  5. add missing connect() macro

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  6. we have accumulated enough changes to call this version 1.2

    @akohlmey
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  7. more documentation and tutorial updates

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  8. add a small LAMMPS icon to the status bar indicating whether an activ… 

    …e LAMMPS instance exists
    @akohlmey
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  9. include images of the preferences dialog tabs and discuss preferences

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  10. more howto documentation updates

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  11. include more icons link to Howto doc

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Commits on Aug 14, 2023

  1. more icons

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  2. complete bundling and assigning icons to actions

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  3. get rid of tr() macros

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  4. improve desktop integration for Linux

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  5. complete lammps gui howto

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Commits on Aug 15, 2023

  1. make box, axes, ssao, antialias checkable buttons in image viewer 

    this reduces the antialias option to just 2x
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  2. make consistent and avoid segfaults

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  3. add option to query Update::setupflag to see if thermo data is valid

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  4. various chart window updates and improvements 

    - charts are reset if the thermo style changes
- charts are reset if the timestep is reset (to a lower value)
- charts are not updated if thermo data is not valid (e.g. during setup)
- use integer format for Steps on the x-axis
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  5. no point in removing a null pointer item

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  6. imageviewer updates 

    - new zoom icons
- resetview option
- properly track pushbutton checked state
- add preferences options for selecting background and box color
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  7. avoid lengthy accelerator details with Nvidia GPUs

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  8. update quick help and TODO list

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  9. some more image settings tweaks

    @akohlmey
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  10. update docs

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  11. add View in OVITO and View in VMD entries to Run menu

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  12. small documentation and spelling updates

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Commits on Aug 16, 2023

  1. Merge branch 'develop' into lammps-gui-improvements

    @akohlmey
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  2. must dynamically load liblammps.so before any library function calls

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  3. we cannot cleanly restart with a new plugin through loading. must rel… 

    …aunch.
    @akohlmey
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  4. correct re-launch implementation for windows

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  5. must make copies on Linux

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  6. dynamic loaded library crashes currently on macOS

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