DipSim is a Python program for simulating dipoles (and their associated moments). It has multiple way to generate/import dipoles and later find there minimal energy. Uses Python and scipy to compute and the framework Qt and its QML engine to render everything.
- Dipoles generation according to different Bravais lattice (2D and 3D) parameters. Possible to edit:
- axial distances (a, b, c)
- axial angles (alpha, beta, gamma)
- generation radius
- type : hexagonal, monoclinic, ...
- family : P, I, ...
- Dipoles generation randomly:
- max distance of generation
- number of dipoles randomly generated
- limits : sphere or square
- dimension : 2D or 3D
- Import and export option of the dipoles (file in .csv)
- Energy minimization (Magnetic dipole-dipole interaction) with two solving method:
- Nonlinear conjugate gradient algorithm (T=0K)
- Monte-Carlo with Metropolis algorithm (T>0K)
- 3D visualization with a UI to control:
- generation
- simulation
- view
- recent version of python 3 compatible with other dependencies (pyside2, numpy and scipy notably)
- a desktop environment (cannot run on a server since it's a GUI/rendering based project)
- an internet connection
- ... and you should be ready to play with dipoles in no time !
( kubuntu 20.04 LTS ; python 3.8.2 64 bit ; pyside 5.15 ; scipy 1.5.1 ; numpy 1.19.0 )
It's best to match version of dependencies already tested in the previous section 😉.
Install python3 on your system (virtual environment currently not tested). Follow instruction on previous link for more information about how to install python3.
Use the package manager pip to install pyside2, numpy and scipy.
pip3 install pyside2 numpy scipyDownload this repository and place it in a folder (we will refer to it as path/to/DipSim/ )
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if you have git installed, you can use the following command:
git clone https://github.com/ndeybach/DipSim
You should be ready to go !
Go to the downloaded directory and launch DipSim by executing the following command:
python3 path/to/DipSim/main.pyYou are now in front of the main interface :
On top right you have different settings:
- an export button : will open a window letting you export your dipoles (initial ones and/or computed ones)
- a combobox letting you choose which dipoles are displayed in 3D view
- a list of initial dipoles (mainly for debugging purposes)
- a setting button opening the right panel with application settings (most are self-explenatory)
On the left you have the drawer where all simulations and generations of dipoles happen.
- the first panel let you generate dipoles. Multiple options are available :
- from import. You just select the .csv files you want to import (see structure of a dummy export for how to format it)
- from randomly generated dipoles.
- from a bravais lattice structure. All parameters are customizable (see this wikipedia article for more information)
- the second panel offers two ways of minimizing the global energy of a group of dipoles.
- first at 0 K with a standard magnetic dipole–dipole interaction formula.
- the second allow estimating the global energy with a Monte Carlo approach at a given temperature.
At the bottom-right corner is a button opening a panel allowing changing the rendering and move around.
- some initial dipoles are missing in 3D view. They are not missing in the data, only not displayed. Happens randomly. Maybe a qt quick 3D bug ?
- 3D lattice generation has a problem with angles different than 90°. It is probably missing a projection coefficient. Thus they will be missing some dipoles on some sides.
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add a way to change the moments with gui on generation types random and lattice.
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debug multithreading on computing of minimum energy with Monte Carlo technic. Currently implemented using a list of qthread (referred as threadpool) and each participate in global iteration number. But a race happens and only last qthread calls its function
run(). Which is essentially the same as computing with a single thread. -
package DipSim in a single executable and release it. Makes it even simpler to use.
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implement a custom bravais cell type with maybe a table where you can add/remove individual translations.
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add phase change graphs at multiple low temperatures in Monte Carlo minimisation.
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move lattice generation to a thread. So that it doesn't the UI in long generations (3D or small angles)
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display info when dipole is clicked/picked in 3D view.
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add even more simulation/compute technic and features ! Feel free to commit any idea !
- If you enter a wrong value and DipSim doesn't start anymore (maybe because a calculation is too big with previously entered value), then you have to delete DipSim's settings. They are located as indicated in QSettings documentation. It will reset everything to default.
DipSim is the result of 6 weeks of internship at the IPR (Institut de Physique de Rennes) of two students in second year of a bachelor's degree : Nils DEYBACH and Léo Oudart. The initial project was realized in June and July 2020.
Pull requests are welcome. For major changes, please open an issue first to discuss what you would like to change.
Since this was originally a 6 week internship project, we (the original authors) cannot garanty any prompt answer. It will be a on a best effort basis.