-
Notifications
You must be signed in to change notification settings - Fork 55
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
(Issue #147)
- Loading branch information
Showing
3 changed files
with
88 additions
and
0 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 |
---|---|---|
@@ -0,0 +1,58 @@ | ||
{ | ||
"@context": "https://raw.githubusercontent.com/codemeta/codemeta/master/codemeta.jsonld", | ||
"@type": "Code", | ||
"author": [ | ||
{ | ||
"@id": "http://orcid.org/0000-0003-1340-0831", | ||
"@type": "Person", | ||
"email": "[email protected]", | ||
"name": "Oliver Beckstein", | ||
"affiliation": "Arizona State University" | ||
}, | ||
{ | ||
"@id": "", | ||
"@type": "Person", | ||
"email": "", | ||
"name": "Pedro Lacerda", | ||
"affiliation": "" | ||
}, | ||
{ | ||
"@id": "", | ||
"@type": "Person", | ||
"email": "[email protected]", | ||
"name": "Richard Gowers", | ||
"affiliation": "" | ||
}, | ||
{ | ||
"@id": "", | ||
"@type": "Person", | ||
"email": "[email protected]", | ||
"name": "Ian Kenney", | ||
"affiliation": "Arizona State University" | ||
}, | ||
{ | ||
"@id": "", | ||
"@type": "Person", | ||
"email": "", | ||
"name": "Andy Somogyi", | ||
"affiliation": "" | ||
}, | ||
{ | ||
"@id": "", | ||
"@type": "Person", | ||
"email": "", | ||
"name": "Philip Loche", | ||
"affiliation": "" | ||
} | ||
], | ||
"identifier": "10.5281/zenodo.17901", | ||
"codeRepository": "https://github.com/Becksteinlab/GromacsWrapper", | ||
"datePublished": "2018-08-17", | ||
"dateModified": "2018-08-17", | ||
"dateCreated": "2018-08-17", | ||
"description": "GromacsWrapper is a Python package that wraps system calls to the Gromacs molecular dynamics tools into thin classes and provides a Python-like API. This allows for fairly seamless integration of the gromacs tools (v4.6.x, v5.x, 2016.x, 2018.x, all with the same Python code) into python scripts. ", | ||
"keywords": "python, molecular-dynamics, gromacs", | ||
"license": "GPL v3.0", | ||
"title": "GromacsWrapper", | ||
"version": "v0.7.0" | ||
} |
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 @@ | ||
%%% paper.bib for GromacsWrapper paper.md |
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 +1,29 @@ | ||
--- | ||
title: 'GromacsWrapper: A Python package for galactic dynamics' | ||
tags: | ||
- Python | ||
- molecular-dynamics | ||
- Gromacs | ||
authors: | ||
- name: Oliver Beckstein | ||
orcid: 0000-0003-1340-0831 | ||
affiliation: "1, 2" # (Multiple affiliations must be quoted) | ||
- name: Pedro Lacerda | ||
- name: Richard Gowers | ||
- name: Ian Kenney | ||
affiliation: 1 | ||
- name: Philip Loche | ||
affiliations: | ||
- name: Department of Physics, Arizona State University | ||
index: 1 | ||
- name: Center for Biological Physics, Arizona State University | ||
index: 2 | ||
date: 17 August 2018 | ||
bibliography: paper.bib | ||
--- | ||
|
||
# Summary | ||
|
||
# Acknowledgments | ||
|
||
# References |