Skip to content

Commit

Permalink
Update to @28a0233
Browse files Browse the repository at this point in the history
  • Loading branch information
PlumedBot committed Nov 7, 2024
0 parents commit 7ea3438
Show file tree
Hide file tree
Showing 13,877 changed files with 420,426 additions and 0 deletions.
The diff you're trying to view is too large. We only load the first 3000 changed files.
1 change: 1 addition & 0 deletions CNAME
Original file line number Diff line number Diff line change
@@ -0,0 +1 @@
www.plumed-nest.org
35 changes: 35 additions & 0 deletions Info.md
Original file line number Diff line number Diff line change
@@ -0,0 +1,35 @@
### What is PLUMED-NEST?

PLUMED-NEST is the public repository of the PLUMED consortium. It provides all the data
needed to reproduce the results of a PLUMED-enhanced molecular dynamics simulation (or analysis)
contained in a published paper. Furthermore, PLUMED-NEST monitors the compatibility of the provided
PLUMED input files with the current and development versions of the code and integrates links from these files to the
PLUMED manual.

### What is PLUMED?

PLUMED is a freely-available, open-source library that provides a wide range of different methods, such as enhanced-sampling algorithms, free-energy methods, and tools to analyze the vast amounts
of data produced by MD simulations. More information can be found [here](http://www.plumed.org).

### What is the PLUMED consortium?

The PLUMED consortium is an open community composed of current and past PLUMED developers, contributors,
and all those researchers whose work builds in part on PLUMED and at the same time drives
the development and dissemination of PLUMED.
The mission of the consortium is to transform the way researchers communicate the
protocols that are used in their MD simulations, in order to maximize the impact of
new research and promote the highest possible standards of scientific reproducibility.
More information can be found [here](consortium.md).

### How to find a project in PLUMED-NEST

The list of contributions to PLUMED-NEST from current members of the PLUMED consortium as well as other researchers
can be found [here](browse.md).

### How to contribute to PLUMED-NEST

Everybody can contribute to PLUMED-NEST. It is sufficient to provide
a link to an archive containing all the data needed to reproduce a
PLUMED-enhanced simulation (or analysis) along with some additional information.
More detailed instructions and the form to upload a contribution can be found [here](contribute.md).

38 changes: 38 additions & 0 deletions README.md
Original file line number Diff line number Diff line change
@@ -0,0 +1,38 @@
Welcome to PLUMED-NEST!
-----------------------------

### What is PLUMED-NEST?

PLUMED-NEST is the public repository of the PLUMED consortium. It provides all the data
needed to reproduce the results of a PLUMED-enhanced molecular dynamics simulation (or analysis)
contained in a published paper. Furthermore, PLUMED-NEST monitors the compatibility of the provided
PLUMED input files with the current and development versions of the code and integrates links from these files to the
PLUMED manual.

### What is PLUMED?

PLUMED is a freely-available, open-source library that provides a wide range of different methods, such as enhanced-sampling algorithms, free-energy methods, and tools to analyze the vast amounts
of data produced by MD simulations. More information can be found [here](http://www.plumed.org).

### What is the PLUMED consortium?

The PLUMED consortium is an open community composed of current and past PLUMED developers, contributors,
and all those researchers whose work builds in part on PLUMED and at the same time drives
the development and dissemination of PLUMED.
The mission of the consortium is to transform the way researchers communicate the
protocols that are used in their MD simulations, in order to maximize the impact of
new research and promote the highest possible standards of scientific reproducibility.
More information can be found [here](consortium.md).

### How to find a project in PLUMED-NEST

The list of contributions to PLUMED-NEST from current members of the PLUMED consortium as well as other researchers
can be found [here](browse.md).

### How to contribute to PLUMED-NEST

Everybody can contribute to PLUMED-NEST. It is sufficient to provide
a link to an archive containing all the data needed to reproduce a
PLUMED-enhanced simulation (or analysis) along with some additional information.
More detailed instructions and the form to upload a contribution can be found [here](contribute.md).

3 changes: 3 additions & 0 deletions _config.yml
Original file line number Diff line number Diff line change
@@ -0,0 +1,3 @@
theme: jekyll-theme-cayman
title: PLUMED-NEST
description: The public repository of the PLUMED consortium
Loading

0 comments on commit 7ea3438

Please sign in to comment.