How to contribute to PLUMED-NEST
Contributing to PLUMED-NEST is free and easy. To do so you must:
- Collect the files you used in your calculations. Please test the validity of the PLUMED input files you are submitting before you upload. The tests that are run by PLUMED-NEST use the command
plumed driver --natoms 100000 --parse-only --kt 2.49 --plumed plumed.dat
- Create and upload a zip file containing all your inputs to your favorite repository. Popular solutions are Zenodo and GitHub. Additional info about where to host your zip file can be found here.
- Fill in the sections of the form below. All fields are required, unless otherwise specified.
The fields you must fill are:
- plumID: please select “new” for a new submission, or your plumID in case of resubmission/update of an existing project
- Project name: the name of your project
- URL: the location of the zipped archive containing all the files needed to reproduce your PLUMED-enhanced simulation or analysis. See here.
- PLUMED input files (optional): list of non-standard PLUMED input file names, i.e. file names that are different to
- Category: the category that best defines the project
- Keywords: keywords describing the project
- Instructions: list of software used and instructions to execute the simulation(s)/analysis
- PLUMED version: the version of the code used in this project (use -mod to indicate that you use a modified version not officially distributed, e.g. 2.5-mod)
- Contributor: project contributor
- Publication: the DOI identifying the paper related to this project. If the work is still unpublished and not available on a preprint server, please type “unpublished”
- Contact: the name of a contact person to communicate with the coordinators of the PLUMED consortium
- Contact email: the email of the contact person
- Comments (optional): comments related to the submission, e.g. list of changes in case of resubmission
Please note that:
- All contributions are curated and manually uploaded by the coordinators of the PLUMED consortium. Therefore, a delay between submission and online publication should be expected.
- The name and email of the contact person will not appear on the PLUMED-NEST website.
- If necessary, you will be able to edit the information on GitHub later or send us a revised version of the form. In the latter case, please specify a list of changes in the “Comments” field.
- PLUMED-NEST will not host your archive, so make sure the indicated URL remains accessible. More info about where to host your contribution can be found here.
- PLUMED-NEST will not test your execution scripts, but only the compatibility of the PLUMED input files provided.
Questions related to the submission to PLUMED-NEST can be directed to:
Fields marked with “*” are optional