-
Notifications
You must be signed in to change notification settings - Fork 2
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
Showing
3 changed files
with
54 additions
and
22 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 |
---|---|---|
@@ -1,37 +1,63 @@ | ||
## Welcome to GitHub Pages | ||
|
||
You can use the [editor on GitHub](https://github.com/raimis/plumed-pybias/edit/master/README.md) to maintain and preview the content for your website in Markdown files. | ||
**The site is still under construction!** | ||
|
||
Whenever you commit to this repository, GitHub Pages will run [Jekyll](https://jekyllrb.com/) to rebuild the pages in your site, from the content in your Markdown files. | ||
*PyBias* is a *PLUMED* plug-in with an embeded *Python* interpreter. | ||
|
||
### Markdown | ||
## Features | ||
|
||
Markdown is a lightweight and easy-to-use syntax for styling your writing. It includes conventions for | ||
- All system *Python* modules can be used inside | ||
- Built-in module to access information from PLUMED | ||
- No PLUMED re-compilation needed | ||
|
||
```markdown | ||
Syntax highlighted code block | ||
# Example | ||
|
||
# Header 1 | ||
## Header 2 | ||
### Header 3 | ||
``` | ||
# plumed.dat | ||
LOAD FILE=libpybias.so | ||
d: DISTANCE ATOMS=1,2 | ||
PYBIAS ARG=d | ||
``` | ||
|
||
```python | ||
# bias.py | ||
|
||
- Bulleted | ||
- List | ||
import numpy as np | ||
|
||
1. Numbered | ||
2. List | ||
def bias(position, force): | ||
|
||
**Bold** and _Italic_ and `Code` text | ||
force[:] = 0. | ||
|
||
[Link](url) and ![Image](src) | ||
return 0. | ||
``` | ||
|
||
For more details see [GitHub Flavored Markdown](https://guides.github.com/features/mastering-markdown/). | ||
# Installation | ||
|
||
If your are lucky (*i.e.* your system already has all dependencies), it is just | ||
a 5-step process: | ||
```bash | ||
git clone https://github.com/raimis/plumed-pybias.git | ||
cd plumed-pybias | ||
cmake . | ||
make | ||
make install | ||
``` | ||
|
||
## Dependencies | ||
|
||
### Run-time | ||
- Plumed | ||
- Python | ||
- Numpy | ||
- MPI4Py | ||
|
||
### Building | ||
- g++ | ||
- cmake | ||
|
||
### Jekyll Themes | ||
# Tutorial | ||
|
||
Your Pages site will use the layout and styles from the Jekyll theme you have selected in your [repository settings](https://github.com/raimis/plumed-pybias/settings). The name of this theme is saved in the Jekyll `_config.yml` configuration file. | ||
|
||
### Support or Contact | ||
|
||
Having trouble with Pages? Check out our [documentation](https://help.github.com/categories/github-pages-basics/) or [contact support](https://github.com/contact) and we’ll help you sort it out. |
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 +1,6 @@ | ||
theme: jekyll-theme-cayman | ||
# https://github.com/pages-themes/cayman | ||
title: PyBias | ||
description: A PLUMED plug-in with an embeded Python interpreter | ||
show_downloads: false | ||
google_analytics: | ||
theme: jekyll-theme-cayman |
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 |
---|---|---|
@@ -0,0 +1 @@ | ||
README.md |