This a standalone react/redux application for atomistic material structures design. Used within the Exabyte.io platform as explained in the corresponding part of its documentatation here.
Functionality
As below:
Input/Output Menu
Export materials in JSON/POSCAR formats
Edit Menu
Undo/Redo/Reset/Clone operations
View
Fullscreen mode
Advanced Menu
Creating supercell
Creating combinatorial set
Creating interpolated set
Creating surface/slab
Basis Editor
Adding/Removing/Modifying sites
Adding/Removing/Modifying atomic constraints
Switching Crystal/Cartesian units
Lattice Editor
Adjusting lattice units/types/parameters
3D Editor
Visualizing materials
Rotation
Repetition/Radius
Toggle axes
Adjusting materials
add/remove/select atoms
Installation
Run with Node v12.21.0, tested with Node v8.11.4. The corresponding version(s) of npm should be fine, tested with v6.4.1. We recommend using nvm for version management.
Materials Designer can be installed from source as follow:
git clone git@github.com:Exabyte-io/materials-designer.git
cd materials-designer
sh run-application.sh
There are two docker files used for testing in CI. In principle, we could use
more targeted base images for the use case (e.g. node or selenium images),
but we want to verify correct behavior
on a specific CentOS version. The first dockerfiles/centos/Dockerfile builds and
runs the application. The second dockerfiles/test/Dockerfile provisions and runs
the tests. The test image uses the centos image as a base and is related by the
entrypoint.sh script. It is targeted for CI so if you are editing
the entrypoint.sh you may need to re-build both containers for your changes to
work. It can also be useful to comment out the ENTRYPOINT in the centos dockerfile
as well as the CMD in the test dockerfile in order to easily run and debug both
containers. There is also a docker-compose.yml file which can be used for local
building and testing. Provided docker-compose is installed, it can be used like so:
docker-compose build materials-designer
docker-compose build materials-designer-test
docker-compose up -d materials-designer
sleep 30 # let the app actually start
docker-compose run materials-designer-test
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