generated from materialdigital/pyiron-workflow-template
-
Notifications
You must be signed in to change notification settings - Fork 0
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
- Loading branch information
Han Lin Mai
committed
Aug 2, 2023
1 parent
7b6f281
commit a38e8b9
Showing
6 changed files
with
9 additions
and
88 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -1,35 +1,28 @@ | ||
{ | ||
"workflow_environment":"pyiron", | ||
"title": "pyiron workflow template", | ||
"title": "pyiron LAMMPS example", | ||
"authors": [ | ||
"author1 <email_address>", | ||
"author2 <email_address>" | ||
"Han Mai <h.mai@mpie.de>" | ||
], | ||
"description": "description of what the workflow does", | ||
"description": "Run a lammps calculation in pyiron", | ||
"release": "0.0.1", | ||
"keywords": [ | ||
"workflow", | ||
"template", | ||
"keyword1", | ||
"keyword2" | ||
"LAMMPS", | ||
"molecular dynamics", | ||
], | ||
"categories":[ | ||
"category1, e.g., continuum/atomistics/experimental", | ||
"catergory2, e.g., continuum/atomistics/experimental" | ||
"category1, atomistics", | ||
], | ||
"steps/codes":[ | ||
"step1, e.g., calculation of elastic modulus", | ||
"step1, e.g., basic LAMMPS isothermal calculation", | ||
"code1, e.g., LAMMPS", | ||
"step2, e.g., macroscopic response", | ||
"code2, e.g., DAMASK" | ||
], | ||
"license": { | ||
"softwar1": "license1", | ||
"software2": "license2" | ||
"software1": "GNU Public License Version 2", | ||
}, | ||
"publication": [ | ||
"publication1", | ||
"publication2" | ||
"Janssen, J., Surendralal, S., Lysogorskiy, Y., Todorova, M., Hickel, T., Drautz, R. and Neugebauer, J., 2019. pyiron: An integrated development environment for computational materials science. Computational Materials Science, 163, pp.24-36." | ||
], | ||
"logo" : "logo_dark.png" | ||
} |
This file was deleted.
Oops, something went wrong.
Binary file not shown.
This file was deleted.
Oops, something went wrong.
This file was deleted.
Oops, something went wrong.
This file was deleted.
Oops, something went wrong.