fortysixandtwo / freshs Goto Github PK
View Code? Open in Web Editor NEWThis project forked from freshs/freshs
Flexible Rare Event Sampling Harness System
License: GNU General Public License v3.0
This project forked from freshs/freshs
Flexible Rare Event Sampling Harness System
License: GNU General Public License v3.0
This is the Flexible Rare Event Sampling Harness System (FRESHS) FRESHS is a sampling harness system to carry out rare event simulations, using algorithms such as SPRES or FFS. FRESHS is simulation-agnostic: it is tested against popular simulation programs (GROMACS, LAMPPS, ESPResSo) but you should find it easy to connect it to your own programs without recompiling them using our plug-in system. For details please refer to our homepage http://www.freshs.org/ For an introduction see the file INSTALL If you are using FRESHS please cite the following in your publications: * Kai Kratzer, Joshua T. Berryman, Aaron Taudt, Johannes Zeman, and Axel Arnold, The Flexible Rare Event Sampling Harness System (FRESHS), Comp. Phys. Comm. 2014. Sampling-related: FFS: * Allen, Warren & ten Wolde, Phys. Rev. Lett. 94, 018104 (2005) automatic, optimized interface placement: * Kai Kratzer, Axel Arnold, and Rosalind J. Allen, J. Chem. Phys. 138, 164112 (2013)) SPRES: * Berryman & Schilling, J. Chem. Phys. 133, 244101 (2010) Directory overview ------------------ client The code of the FRESHS clients doc Documentation harnesses The harness scripts of the simulations scripts Analysis and helper programs server The code of the FRESHS server test Code for testing tutorial Manuals for the FRESHS tutorials
A declarative, efficient, and flexible JavaScript library for building user interfaces.
๐ Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. ๐๐๐
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google โค๏ธ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.