Welcome to PLUMED-TESTCENTER!
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What is PLUMED-TESTCENTER?
PLUMED-TESTCENTER is a website for reporting how well PLUMED is interacting with the various simulations codes it can be used with. The members of the PLUMED consortium perform research using a wide variety of different molecular dynamics codes and libraries. PLUMED is used in tandem with these codes and this website reports the results of tests that are regularly performed to ensure that changes in PLUMED or these other codes are not breaking the interfaces between these various pieces of software. All members of the plumed consortium can upload tests to the testcenter to ensure that the codes they like to use together keep working together in the way that they expect. Similarly, anyone using PLUMED in tandem with some other code can use this website to check if those pieces of software are working together in the way that they should.
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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.
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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.
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How to check your code works with PLUMED using PLUMED-TESTCENTER
The list of codes that are tested here can be found here.
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How to contribute lessons to PLUMED-TESTCENTER
Testing matters! If your work relies on using PLUMED and some other code together you should consider submitting some tests here. You may have your own tests but if you take the time to contribute here the website ensures your tests are run frequently. In addition the scripts that you used to build the software you are using with PLUMED are shown so others can see how to build the collection of codes you used. You can find instructions on how to start contributing tests here.
If you are contributing material to test the interface between PLUMED and an MD code we would recommend looking at the advice on testing the interface between PLUMED and an MD code that you can find here